 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer001_STD_wB97XD_augccpVDZ.in
 Output=08_d-glucose_conformer001_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-94832.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     94841.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer001_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:59:14 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer001_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.639995000000      1.210425000000     -0.197110000000
  C                                                -1.660478000000      0.161160000000      0.197504000000
  C                                                 0.736747000000      0.795510000000      0.286144000000
  C                                                 1.079369000000     -0.604203000000     -0.228054000000
  O                                                 0.067145000000     -1.517619000000      0.198419000000
  C                                                -1.216562000000     -1.213556000000     -0.304644000000
  O                                                -0.922508000000      2.483202000000      0.369953000000
  H                                                -0.621099000000      1.285662000000     -1.292336000000
  O                                                -2.907145000000      0.541846000000     -0.359981000000
  H                                                -1.721531000000      0.118750000000      1.294206000000
  H                                                 0.727111000000      0.765851000000      1.383318000000
  O                                                 1.732438000000      1.706543000000     -0.165282000000
  C                                                 2.410891000000     -1.123511000000      0.302675000000
  H                                                 1.126892000000     -0.582940000000     -1.324712000000
  O                                                -2.103572000000     -2.214928000000      0.095778000000
  H                                                -1.218810000000     -1.228110000000     -1.401446000000
  H                                                -1.811275000000      2.739925000000      0.096905000000
  H                                                -3.533704000000     -0.176051000000     -0.206287000000
  H                                                 1.430942000000      2.597378000000      0.052923000000
  O                                                 3.515463000000     -0.471377000000     -0.290315000000
  H                                                 2.491301000000     -2.182395000000      0.056578000000
  H                                                 2.421925000000     -1.030336000000      1.397090000000
  H                                                -1.970048000000     -2.365618000000      1.041455000000
  H                                                 3.363901000000      0.481596000000     -0.225378000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:59:14 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922508    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541846   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123511    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811275    2.739925    0.096905
     18          1           0       -3.533704   -0.176051   -0.206287
     19          1           0        1.430942    2.597378    0.052923
     20          8           0        3.515463   -0.471377   -0.290315
     21          1           0        2.491301   -2.182395    0.056578
     22          1           0        2.421925   -1.030336    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481596   -0.225378
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515936   0.000000
     3  C    1.516940   2.481319   0.000000
     4  C    2.500009   2.876394   1.530028   0.000000
     5  O    2.845824   2.408938   2.409695   1.428568   0.000000
     6  C    2.493928   1.529398   2.863703   2.376652   1.411889
     7  O    1.421737   2.442584   2.368218   3.727894   4.124973
     8  H    1.097970   2.136454   2.139064   2.756062   3.248756
     9  O    2.369281   1.417706   3.709417   4.150076   3.660547
    10  H    2.141378   1.099219   2.741774   3.268788   2.660416
    11  H    2.136440   2.733567   1.097617   2.144214   2.655895
    12  O    2.423960   3.745891   1.423084   2.402080   3.647012
    13  C    3.873622   4.270537   2.546698   1.524567   2.378936
    14  H    2.758538   3.261941   2.155735   1.097893   2.077647
    15  O    3.736427   2.419189   4.143234   3.581957   2.282277
    16  H    2.780630   2.163743   3.281341   2.654757   2.072936
    17  H    1.948772   2.585128   3.210760   4.432224   4.654616
    18  H    3.208731   1.945696   4.407173   4.632951   3.863898
    19  H    2.504982   3.938647   1.945001   3.233059   4.337547
    20  O    4.483857   5.237216   3.107824   2.440507   3.636534
    21  H    4.623916   4.769631   3.463969   2.136646   2.517653
    22  H    4.115560   4.418674   2.721716   2.150614   2.686865
    23  H    4.011380   2.681920   4.229653   3.743418   2.362195
    24  H    4.069788   5.052316   2.694835   2.529437   3.878797
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.769293   0.000000
     8  H    2.752490   2.070786   0.000000
     9  O    2.437739   2.870619   2.578479   0.000000
    10  H    2.141578   2.661450   3.043490   2.078708   0.000000
    11  H    3.247327   2.587942   3.040888   4.036965   2.534271
    12  O    4.152469   2.817519   2.643204   4.787500   4.071989
    13  C    3.679043   4.911665   4.188214   5.611955   4.427557
    14  H    2.632488   4.058714   2.558944   4.297593   3.932507
    15  O    1.396378   4.852062   4.047063   2.907447   2.651082
    16  H    1.096901   4.123043   2.586158   2.658546   3.055045
    17  H    4.018076   0.964556   2.336962   2.498245   2.883079
    18  H    2.540716   3.771210   3.435022   0.965181   2.371151
    19  H    4.654068   2.377451   2.782300   4.818164   4.197912
    20  O    4.789895   5.372251   4.604604   6.502412   5.503187
    21  H    3.849335   5.789654   4.851188   6.061207   4.957312
    22  H    4.020952   4.958346   4.675131   5.827353   4.301071
    23  H    1.925349   5.005928   4.538512   3.360881   2.509527
    24  H    4.884717   4.768034   4.202993   6.272780   5.320001
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.072136   0.000000
    13  C    2.751835   2.947624   0.000000
    14  H    3.051637   2.636797   2.142256   0.000000
    15  O    4.307618   5.491909   4.649126   3.888068   0.000000
    16  H    3.939213   4.341676   4.011197   2.434019   1.999573
    17  H    3.463413   3.700611   5.726706   4.657816   4.963467
    18  H    4.644197   5.592682   6.041104   4.810155   2.508693
    19  H    2.370616   0.965453   3.855865   3.479188   5.971006
    20  O    3.479467   2.817472   1.413151   2.605320   5.895981
    21  H    3.683037   3.968493   1.090076   2.515518   4.595155
    22  H    2.469589   3.225974   1.098430   3.047209   4.855594
    23  H    4.147003   5.634458   4.613161   4.285758   0.966872
    24  H    3.101833   2.041024   1.939958   2.710347   6.104723
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282683   0.000000
    18  H    2.809621   3.400236   0.000000
    19  H    4.875524   3.245647   5.692698   0.000000
    20  O    4.921443   6.231897   7.055851   3.725627   0.000000
    21  H    4.098953   6.537815   6.355722   4.895978   2.024062
    22  H    4.596289   5.815955   6.226567   3.993638   2.087007
    23  H    2.797508   5.194608   2.965819   6.097152   5.954208
    24  H    5.030653   5.655649   6.928912   2.879291   0.967133
                   21         22         23         24
    21  H    0.000000
    22  H    1.768905   0.000000
    23  H    4.572438   4.604224   0.000000
    24  H    2.817406   2.409494   6.177581   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3109432           0.7353740           0.4929629
 Leave Link  202 at Thu Aug 12 21:59:15 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.8206295350 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0166787712 Hartrees.
 Nuclear repulsion after empirical dispersion term =      827.8039507638 Hartrees.
 Leave Link  301 at Thu Aug 12 21:59:16 2021, MaxMem=  5368709120 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.58D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Thu Aug 12 21:59:17 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:59:17 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer001_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:59:17 2021, MaxMem=  5368709120 cpu:               3.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -687.085071642968    
 DIIS: error= 2.70D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.085071642968     IErMin= 1 ErrMin= 2.70D-03
 ErrMax= 2.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-02 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.70D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.442 Goal=   None    Shift=    0.000
 GapD=    0.442 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.01D-02 MaxDP=6.55D-01              OVMax= 1.65D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.86D-03    CP:  9.20D-01
 E= -687.094355718199     Delta-E=       -0.009284075231 Rises=F Damp=F
 DIIS: error= 3.56D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.094355718199     IErMin= 2 ErrMin= 3.56D-04
 ErrMax= 3.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-04 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.56D-03
 Coeff-Com: -0.285D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.284D-01 0.103D+01
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.52D-03 MaxDP=9.62D-02 DE=-9.28D-03 OVMax= 5.04D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.98D-04    CP:  9.00D-01  1.12D+00
 E= -687.094592660114     Delta-E=       -0.000236941915 Rises=F Damp=F
 DIIS: error= 3.38D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -687.094592660114     IErMin= 3 ErrMin= 3.38D-04
 ErrMax= 3.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-04 BMatP= 2.95D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.38D-03
 Coeff-Com: -0.419D-01 0.518D+00 0.524D+00
 Coeff-En:   0.000D+00 0.396D-01 0.960D+00
 Coeff:     -0.417D-01 0.516D+00 0.526D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.93D-04 MaxDP=1.34D-02 DE=-2.37D-04 OVMax= 1.86D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.02D-05    CP:  8.96D-01  1.13D+00  1.13D+00
 E= -687.094782508386     Delta-E=       -0.000189848272 Rises=F Damp=F
 DIIS: error= 3.84D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.094782508386     IErMin= 4 ErrMin= 3.84D-05
 ErrMax= 3.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.74D-06 BMatP= 2.71D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.274D-03-0.623D-01 0.466D-01 0.102D+01
 Coeff:      0.274D-03-0.623D-01 0.466D-01 0.102D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.84D-04 MaxDP=1.74D-02 DE=-1.90D-04 OVMax= 8.73D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.50D-05    CP:  8.93D-01  1.13D+00  1.28D+00  1.47D+00
 E= -687.094790017739     Delta-E=       -0.000007509354 Rises=F Damp=F
 DIIS: error= 2.68D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.094790017739     IErMin= 5 ErrMin= 2.68D-05
 ErrMax= 2.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.23D-07 BMatP= 4.74D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.330D-02-0.621D-01-0.198D-01 0.394D+00 0.685D+00
 Coeff:      0.330D-02-0.621D-01-0.198D-01 0.394D+00 0.685D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=2.94D-05 MaxDP=2.84D-03 DE=-7.51D-06 OVMax= 2.08D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.83D-06    CP:  8.92D-01  1.13D+00  1.30D+00  1.57D+00  1.15D+00
 E= -687.094791002184     Delta-E=       -0.000000984445 Rises=F Damp=F
 DIIS: error= 3.72D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.094791002184     IErMin= 6 ErrMin= 3.72D-06
 ErrMax= 3.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-08 BMatP= 8.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.465D-03-0.440D-02-0.512D-02-0.277D-01 0.121D+00 0.916D+00
 Coeff:      0.465D-03-0.440D-02-0.512D-02-0.277D-01 0.121D+00 0.916D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=6.78D-06 MaxDP=4.71D-04 DE=-9.84D-07 OVMax= 8.81D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.82D-06    CP:  8.92D-01  1.13D+00  1.31D+00  1.60D+00  1.22D+00
                    CP:  1.08D+00
 E= -687.094791057990     Delta-E=       -0.000000055806 Rises=F Damp=F
 DIIS: error= 2.16D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.094791057990     IErMin= 7 ErrMin= 2.16D-06
 ErrMax= 2.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.49D-09 BMatP= 3.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.832D-04 0.344D-02-0.845D-04-0.473D-01-0.428D-02 0.389D+00
 Coeff-Com:  0.660D+00
 Coeff:     -0.832D-04 0.344D-02-0.845D-04-0.473D-01-0.428D-02 0.389D+00
 Coeff:      0.660D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.44D-06 MaxDP=7.37D-05 DE=-5.58D-08 OVMax= 2.08D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.38D-07    CP:  8.92D-01  1.13D+00  1.31D+00  1.61D+00  1.23D+00
                    CP:  1.10D+00  1.20D+00
 E= -687.094791065851     Delta-E=       -0.000000007861 Rises=F Damp=F
 DIIS: error= 5.30D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.094791065851     IErMin= 8 ErrMin= 5.30D-07
 ErrMax= 5.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.35D-10 BMatP= 8.49D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.792D-04 0.165D-02 0.753D-03-0.124D-01-0.158D-01 0.607D-02
 Coeff-Com:  0.214D+00 0.806D+00
 Coeff:     -0.792D-04 0.165D-02 0.753D-03-0.124D-01-0.158D-01 0.607D-02
 Coeff:      0.214D+00 0.806D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=7.52D-07 MaxDP=5.63D-05 DE=-7.86D-09 OVMax= 9.51D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.50D-07    CP:  8.92D-01  1.13D+00  1.31D+00  1.61D+00  1.23D+00
                    CP:  1.11D+00  1.28D+00  1.19D+00
 E= -687.094791066554     Delta-E=       -0.000000000703 Rises=F Damp=F
 DIIS: error= 1.17D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.094791066554     IErMin= 9 ErrMin= 1.17D-07
 ErrMax= 1.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-11 BMatP= 6.35D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-04 0.165D-03 0.219D-03 0.415D-03-0.358D-02-0.275D-01
 Coeff-Com:  0.281D-02 0.196D+00 0.831D+00
 Coeff:     -0.145D-04 0.165D-03 0.219D-03 0.415D-03-0.358D-02-0.275D-01
 Coeff:      0.281D-02 0.196D+00 0.831D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=2.55D-07 MaxDP=2.17D-05 DE=-7.03D-10 OVMax= 2.84D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.98D-08    CP:  8.92D-01  1.13D+00  1.31D+00  1.61D+00  1.22D+00
                    CP:  1.11D+00  1.30D+00  1.24D+00  1.26D+00
 E= -687.094791066587     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 5.33D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.094791066587     IErMin=10 ErrMin= 5.33D-08
 ErrMax= 5.33D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.88D-12 BMatP= 3.62D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.362D-05-0.127D-03-0.806D-05 0.160D-02 0.467D-03-0.112D-01
 Coeff-Com: -0.219D-01-0.130D-01 0.297D+00 0.747D+00
 Coeff:      0.362D-05-0.127D-03-0.806D-05 0.160D-02 0.467D-03-0.112D-01
 Coeff:     -0.219D-01-0.130D-01 0.297D+00 0.747D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=6.79D-08 MaxDP=5.08D-06 DE=-3.27D-11 OVMax= 8.21D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.35D-08    CP:  8.92D-01  1.13D+00  1.31D+00  1.60D+00  1.22D+00
                    CP:  1.11D+00  1.30D+00  1.27D+00  1.36D+00  1.14D+00
 E= -687.094791066616     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 2.00D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -687.094791066616     IErMin=11 ErrMin= 2.00D-08
 ErrMax= 2.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.74D-13 BMatP= 5.88D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D-05-0.574D-04-0.238D-04 0.554D-03 0.439D-03-0.197D-02
 Coeff-Com: -0.829D-02-0.213D-01 0.375D-01 0.283D+00 0.710D+00
 Coeff:      0.227D-05-0.574D-04-0.238D-04 0.554D-03 0.439D-03-0.197D-02
 Coeff:     -0.829D-02-0.213D-01 0.375D-01 0.283D+00 0.710D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.34D-08 MaxDP=8.85D-07 DE=-2.98D-11 OVMax= 2.70D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.86D-09    CP:  8.92D-01  1.13D+00  1.31D+00  1.60D+00  1.22D+00
                    CP:  1.11D+00  1.30D+00  1.27D+00  1.39D+00  1.20D+00
                    CP:  1.17D+00
 E= -687.094791066563     Delta-E=        0.000000000054 Rises=F Damp=F
 DIIS: error= 6.37D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -687.094791066616     IErMin=12 ErrMin= 6.37D-09
 ErrMax= 6.37D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.72D-14 BMatP= 6.74D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.516D-06-0.616D-05-0.104D-04 0.163D-05 0.129D-03 0.774D-03
 Coeff-Com: -0.102D-03-0.607D-02-0.281D-01 0.961D-03 0.283D+00 0.750D+00
 Coeff:      0.516D-06-0.616D-05-0.104D-04 0.163D-05 0.129D-03 0.774D-03
 Coeff:     -0.102D-03-0.607D-02-0.281D-01 0.961D-03 0.283D+00 0.750D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=7.55D-09 MaxDP=7.08D-07 DE= 5.39D-11 OVMax= 1.10D-07

 SCF Done:  E(RwB97XD) =  -687.094791067     A.U. after   12 cycles
            NFock= 12  Conv=0.75D-08     -V/T= 2.0059
 KE= 6.830798143862D+02 PE=-3.267597371282D+03 EE= 1.069618815066D+03
 Leave Link  502 at Thu Aug 12 22:04:42 2021, MaxMem=  5368709120 cpu:            2588.6 elap:             324.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.64933132D+02

 Leave Link  801 at Thu Aug 12 22:04:42 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.09D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.60D-01 4.33D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 3.39D-02 2.46D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 4.18D-03 9.51D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 5.09D-04 3.49D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 2.80D-05 6.91D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 1.12D-06 1.09D-04.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 4.48D-08 2.35D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 8.51D-10 3.39D-06.
     11 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 2.64D-11 4.94D-07.
      8 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 5.29D-13 8.09D-08.
      2 vectors produced by pass 11 Test12= 2.69D-13 8.33D-09 XBig12= 1.24D-14 1.15D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.113225D+03
      2  0.110397D+01  0.101624D+03
      3 -0.317445D+00 -0.171585D+01  0.851374D+02
 Isotropic polarizability for W=    0.088559      100.00 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.280944D+02 -0.123953D+02 -0.175245D+02
      2  -0.233031D+02  0.138018D+02  0.116521D+02
      3  -0.479132D+01 -0.140641D+01  0.587237D+01
      4  -0.204447D+02 -0.823421D+01 -0.112144D+01
      5  -0.794346D+01 -0.276624D+01  0.720714D+01
      6  -0.196997D+00  0.138567D+02 -0.122698D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.187130D+01 -0.454222D+01  0.657615D+01
      2  -0.383461D+01 -0.409632D-01  0.449202D+01
      3  -0.656079D+01 -0.111253D+02  0.149392D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.164480D+01  0.220465D+01  0.108634D+02
      2  -0.958100D+01 -0.924446D+00  0.119985D+02
      3  -0.804938D+01 -0.150689D+02  0.256924D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.315282D+00  0.117216D+01  0.347909D+00
      2   0.117216D+01 -0.419797D+00  0.127453D+01
      3   0.347909D+00  0.127453D+01 -0.313819D+00
 OR G Eigenvalues:    -1.8508    -0.3234     1.7558  Iso=     0.1394
 Eigenvectors:
   (1)  -0.323070   0.763131  -0.559694
   (2)   0.715393  -0.190236  -0.672327
   (3)   0.619547   0.617609   0.484479
 w=    0.088559 a.u., Optical Rotation Beta=      0.1394 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       39.25 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.51D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.45D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.30D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 5.51D-02 2.12D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 2.48D-03 5.11D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 3.75D-05 6.77D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 7.60D-07 7.19D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.08D-08 9.24D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 1.11D-10 8.25D-07.
     30 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 1.20D-12 7.43D-08.
     13 vectors produced by pass  8 Test12= 4.48D-14 2.78D-09 XBig12= 1.13D-14 9.65D-09.
      1 vectors produced by pass  9 Test12= 4.48D-14 2.78D-09 XBig12= 7.48D-16 2.98D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   254 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.83D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.83D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.11D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113225D+03  0.110397D+01 -0.317445D+00
      2   0.110397D+01  0.101624D+03 -0.171585D+01
      3  -0.317445D+00 -0.171585D+01  0.851374D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.187130D+01 -0.454222D+01  0.657615D+01
      2  -0.383461D+01 -0.409632D-01  0.449202D+01
      3  -0.656079D+01 -0.111253D+02  0.149392D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.280944D+02 -0.123953D+02 -0.175245D+02
      2  -0.233031D+02  0.138018D+02  0.116521D+02
      3  -0.479132D+01 -0.140641D+01  0.587237D+01
      4  -0.204447D+02 -0.823421D+01 -0.112144D+01
      5  -0.794346D+01 -0.276624D+01  0.720714D+01
      6  -0.196997D+00  0.138567D+02 -0.122698D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.274112D+01  0.210413D+01 -0.802798D+00  0.147261D+01  0.219983D+01
      2   0.210413D+01  0.206650D+01  0.185944D+00  0.219983D+01 -0.351065D+01
      3  -0.802798D+00  0.185944D+00 -0.576268D+00  0.270627D+00 -0.118189D+01
                 6             7             8             9            10 
      1   0.270627D+00 -0.101577D+01  0.520680D+00 -0.469355D+00  0.306388D+01
      2  -0.118189D+01  0.520680D+00 -0.203113D+01 -0.607518D+00 -0.179358D+01
      3   0.626352D+00 -0.469355D+00 -0.607518D+00  0.827128D+01  0.117731D+01
                11            12            13            14            15 
      1  -0.179358D+01  0.117731D+01 -0.250155D+01 -0.213504D+01 -0.496716D+00
      2  -0.148176D+01 -0.245898D+00 -0.213504D+01  0.177839D+01  0.781055D+00
      3  -0.245898D+00 -0.104107D+01 -0.496716D+00  0.781055D+00  0.126137D+01
                16            17            18            19            20 
      1   0.181413D+01 -0.732989D+00  0.353251D+00  0.148990D+01 -0.222139D+01
      2  -0.732989D+00  0.982993D+00  0.528761D+00 -0.222139D+01 -0.190146D+01
      3   0.353251D+00  0.528761D+00 -0.867368D+01  0.919703D+00  0.135324D+00
                21            22            23            24            25 
      1   0.919703D+00 -0.329187D+01 -0.278115D+01  0.902827D-01  0.177263D+01
      2   0.135324D+00 -0.278115D+01  0.246535D+01  0.893698D+00  0.232665D+00
      3   0.863544D+00  0.902827D-01  0.893698D+00  0.126880D+01  0.138372D+00
                26            27            28            29            30 
      1   0.232665D+00  0.138372D+00 -0.166925D+00  0.342057D+01 -0.117858D+01
      2   0.170023D+01  0.583688D+00  0.342057D+01  0.143181D+01  0.563047D-01
      3   0.583688D+00 -0.788694D+01 -0.117858D+01  0.563047D-01 -0.101889D+01
                31            32            33            34            35 
      1   0.366879D+01  0.270679D+01  0.684617D-01 -0.140551D+01  0.221648D+00
      2   0.270679D+01 -0.336605D+01 -0.953667D+00  0.221648D+00 -0.161047D+01
      3   0.684617D-01 -0.953667D+00 -0.723486D+00 -0.450606D+00 -0.349641D-01
                36            37            38            39            40 
      1  -0.450606D+00  0.213572D+01 -0.297647D+01  0.672877D+00 -0.423236D+01
      2  -0.349641D-01 -0.297647D+01 -0.367365D+00 -0.484019D+00 -0.973724D+00
      3   0.837966D+01  0.672877D+00 -0.484019D+00  0.655604D-01 -0.816844D-01
                41            42            43            44            45 
      1  -0.973724D+00 -0.816844D-01  0.294054D+01  0.244044D+00  0.210333D+00
      2  -0.321923D+01  0.963513D+00  0.244044D+00  0.127887D+01 -0.706675D+00
      3   0.963513D+00  0.579925D+00  0.210333D+00 -0.706675D+00 -0.132631D+01
                46            47            48            49            50 
      1  -0.411736D+01  0.724504D+00 -0.403881D+00  0.299215D+01  0.210451D+01
      2   0.724504D+00  0.187339D+01  0.819585D+00  0.210451D+01 -0.170697D+01
      3  -0.403881D+00  0.819585D+00 -0.488066D+00  0.730056D-01 -0.689857D+00
                51            52            53            54            55 
      1   0.730056D-01 -0.150366D+01  0.266058D+00  0.138408D-01  0.431780D+01
      2  -0.689857D+00  0.266058D+00 -0.137615D+01 -0.581494D-01 -0.916247D+00
      3  -0.218977D+01  0.138408D-01 -0.581494D-01  0.859852D+01  0.128976D+01
                56            57            58            59            60 
      1  -0.916247D+00  0.128976D+01 -0.278121D+00 -0.155912D+00 -0.294314D+00
      2   0.166858D+01 -0.170125D+00 -0.155912D+00  0.782497D+01  0.139383D+01
      3  -0.170125D+00  0.840429D+00 -0.294314D+00  0.139383D+01 -0.210647D+00
                61            62            63            64            65 
      1   0.197217D+01 -0.998768D+00  0.873598D-01  0.467115D+00 -0.329323D+00
      2  -0.998768D+00  0.330290D+01  0.151574D+01 -0.329323D+00 -0.333166D+00
      3   0.873598D-01  0.151574D+01  0.300928D+00 -0.883852D+00 -0.225099D-01
                66            67            68            69            70 
      1  -0.883852D+00 -0.192274D+00 -0.332006D+00  0.220338D-02 -0.167330D+01
      2  -0.225099D-01 -0.332006D+00  0.778564D+00 -0.103541D+01  0.111847D+00
      3   0.186979D+00  0.220338D-02 -0.103541D+01  0.325163D+00 -0.130267D-01
                71            72            73            74            75 
      1   0.111847D+00 -0.130267D-01 -0.400453D+01  0.336139D+01 -0.114231D+01
      2  -0.185218D+01  0.834893D+00  0.336139D+01  0.755879D+00 -0.903330D-01
      3   0.834893D+00 -0.749421D+01 -0.114231D+01 -0.903330D-01  0.904278D+00
                76            77            78            79            80 
      1   0.635967D+01 -0.329304D+00  0.337815D+00 -0.311220D+01  0.239285D+00
      2  -0.329304D+00  0.334792D+01 -0.908177D+00  0.239285D+00 -0.110899D+01
      3   0.337815D+00 -0.908177D+00  0.587528D+00 -0.127712D+01  0.481454D+00
                81            82            83            84            85 
      1  -0.127712D+01 -0.698594D+00  0.340072D+00  0.100891D+01  0.235689D+00
      2   0.481454D+00  0.340072D+00  0.252132D+00  0.464760D-01  0.245663D+00
      3  -0.242615D+00  0.100891D+01  0.464760D-01 -0.254745D+00  0.892650D-01
                86            87            88            89            90 
      1   0.245663D+00  0.892650D-01  0.201180D+01  0.114060D+00 -0.793028D+00
      2  -0.486852D+00  0.100326D+01  0.114060D+00  0.155362D+01 -0.279098D+00
      3   0.100326D+01 -0.602970D+00 -0.793028D+00 -0.279098D+00  0.770954D+01
                91            92            93            94            95 
      1  -0.277887D+00  0.211457D+00  0.978207D+00  0.291753D+00  0.451970D+00
      2   0.211457D+00  0.425981D+00  0.573136D-01  0.451970D+00 -0.414999D+00
      3   0.978207D+00  0.573136D-01 -0.971053D-01  0.616725D-01  0.856657D+00
                96            97            98            99           100 
      1   0.616725D-01  0.182381D+01  0.267555D-02  0.327260D+00  0.622266D+01
      2   0.856657D+00  0.267555D-02  0.164290D+01  0.161453D+00  0.195968D+01
      3  -0.334039D+00  0.327260D+00  0.161453D+00  0.737422D+01 -0.829517D+00
               101           102           103           104           105 
      1   0.195968D+01 -0.829517D+00  0.980202D+00  0.318348D+01  0.132351D+00
      2   0.379141D+01  0.127001D+00  0.318348D+01 -0.295027D+01 -0.100423D+01
      3   0.127001D+00 -0.886683D-01  0.132351D+00 -0.100423D+01 -0.823881D+00
               106           107           108           109           110 
      1  -0.187928D+01 -0.505946D+00  0.105678D+01  0.131493D+01 -0.304653D+01
      2  -0.505946D+00 -0.221680D+01  0.467786D+00 -0.304653D+01  0.568590D+00
      3   0.105678D+01  0.467786D+00 -0.117640D+00  0.187642D+01 -0.385914D+00
               111           112           113           114           115 
      1   0.187642D+01 -0.295050D+01 -0.174576D+01  0.376577D-01  0.297959D+01
      2  -0.385914D+00 -0.174576D+01  0.654931D+01  0.137477D+01  0.445182D-01
      3   0.116638D+01  0.376577D-01  0.137477D+01 -0.470203D+00 -0.194903D+00
               116           117           118           119           120 
      1   0.445182D-01 -0.194903D+00  0.894995D+00 -0.582077D+00 -0.100518D+01
      2   0.139386D+01  0.738339D+00 -0.582077D+00 -0.584608D-01 -0.422208D-01
      3   0.738339D+00 -0.788657D+01 -0.100518D+01 -0.422208D-01  0.691807D+00
               121           122           123           124           125 
      1  -0.631488D+00 -0.912087D-01 -0.658474D-01 -0.233480D+01 -0.936771D-01
      2  -0.912087D-01  0.237833D+00 -0.931556D+00 -0.936771D-01 -0.134591D+01
      3  -0.658474D-01 -0.931556D+00 -0.611446D-01  0.885504D+00 -0.477074D+00
               126           127           128           129           130 
      1   0.885504D+00 -0.418947D+01 -0.263078D+01  0.133831D+00 -0.279568D+01
      2  -0.477074D+00 -0.263078D+01 -0.287868D+01 -0.142336D-01 -0.289488D+01
      3  -0.753477D+01  0.133831D+00 -0.142336D-01  0.525466D-01 -0.375182D+00
               131           132           133           134           135 
      1  -0.289488D+01 -0.375182D+00 -0.696267D+00 -0.801391D+00  0.258194D-01
      2  -0.532639D+01 -0.501628D+00 -0.801391D+00 -0.176931D+01  0.980749D+00
      3  -0.501628D+00  0.132241D+01  0.258194D-01  0.980749D+00 -0.543255D+01
               136           137           138           139           140 
      1  -0.534709D-02 -0.385297D+00 -0.114052D+01 -0.434959D+00 -0.553748D+00
      2  -0.385297D+00 -0.413584D+00 -0.763046D-01 -0.553748D+00 -0.319227D+00
      3  -0.114052D+01 -0.763046D-01 -0.176179D+00  0.835000D-01 -0.926971D+00
               141           142           143           144           145 
      1   0.835000D-01 -0.220120D+01 -0.340346D+00 -0.936912D+00 -0.571935D+01
      2  -0.926971D+00 -0.340346D+00 -0.152791D+01 -0.117841D+01  0.316953D+01
      3  -0.822974D-01 -0.936912D+00 -0.117841D+01 -0.799128D+01 -0.505689D+00
               146           147           148           149           150 
      1   0.316953D+01 -0.505689D+00  0.219327D+01 -0.180207D+01  0.152837D+00
      2  -0.355317D+01  0.600898D-01 -0.180207D+01  0.260168D+01 -0.263126D+00
      3   0.600898D-01 -0.109993D+01  0.152837D+00 -0.263126D+00  0.686540D+00
               151           152           153           154           155 
      1  -0.118924D+01  0.605275D+00 -0.758444D+00 -0.660122D+01 -0.205212D+01
      2   0.605275D+00 -0.954238D+00  0.742403D+00 -0.205212D+01 -0.199393D+01
      3  -0.758444D+00  0.742403D+00 -0.147952D+00  0.545128D-02  0.390554D-01
               156           157           158           159           160 
      1   0.545128D-02 -0.441342D+01 -0.191796D+01 -0.167497D+00  0.810079D+00
      2   0.390554D-01 -0.191796D+01 -0.240135D+01  0.205603D+00  0.170046D+00
      3  -0.103667D+01 -0.167497D+00  0.205603D+00 -0.665494D+00 -0.954695D+00
               161           162           163           164           165 
      1   0.170046D+00 -0.954695D+00 -0.488775D+00  0.646423D+00  0.216269D+00
      2   0.368272D+00 -0.236418D+00  0.646423D+00 -0.100452D+01 -0.246662D-01
      3  -0.236418D+00 -0.634852D-01  0.216269D+00 -0.246662D-01  0.498825D-01
               166           167           168           169           170 
      1   0.208138D+01  0.533563D+00 -0.103862D+00  0.508555D+00 -0.183501D-01
      2   0.533563D+00  0.832003D+01  0.497439D+00 -0.183501D-01  0.125193D+01
      3  -0.103862D+00  0.497439D+00  0.116037D+01  0.208889D+00  0.949740D+00
               171           172           173           174           175 
      1   0.208889D+00  0.866680D+01  0.772249D+00 -0.150856D+01 -0.647889D-02
      2   0.949740D+00  0.772249D+00  0.935649D+00  0.143966D+00  0.255500D+01
      3   0.138614D+00 -0.150856D+01  0.143966D+00  0.158573D+00  0.192690D+00
               176           177           178           179           180 
      1   0.255500D+01  0.192690D+00 -0.288069D+01 -0.192840D+00  0.176043D+01
      2  -0.451639D+01 -0.563252D+00 -0.192840D+00 -0.643909D+00  0.465094D-01
      3  -0.563252D+00 -0.979797D+00  0.176043D+01  0.465094D-01 -0.592158D+00
               181           182           183           184           185 
      1   0.737459D+00 -0.107560D+01 -0.506978D+00 -0.229884D+01  0.231309D+01
      2  -0.107560D+01  0.611241D+00  0.764583D-01  0.231309D+01 -0.918229D+01
      3  -0.506978D+00  0.764583D-01  0.268677D+00  0.719068D-01 -0.741920D+00
               186           187           188           189           190 
      1   0.719068D-01 -0.115102D+01  0.384624D+00  0.441131D+00  0.518094D-01
      2  -0.741920D+00  0.384624D+00 -0.157304D+01 -0.119294D+01  0.270663D+00
      3  -0.100360D+01  0.441131D+00 -0.119294D+01  0.119151D+00  0.106184D+01
               191           192           193           194           195 
      1   0.270663D+00  0.106184D+01  0.822615D+00  0.225889D+00  0.758470D-02
      2   0.399798D-01  0.386458D-01  0.225889D+00 -0.740017D+00  0.891404D+00
      3   0.386458D-01 -0.101380D+00  0.758470D-02  0.891404D+00  0.521445D+00
               196           197           198           199           200 
      1   0.216286D+01 -0.276622D+00  0.980457D+00 -0.523796D+00 -0.259064D+00
      2  -0.276622D+00  0.141434D+01 -0.109003D+01 -0.259064D+00  0.663726D-01
      3   0.980457D+00 -0.109003D+01  0.870249D+01  0.438624D+00 -0.148412D+00
               201           202           203           204           205 
      1   0.438624D+00 -0.367949D+00 -0.310089D+00  0.216842D+00  0.195256D+01
      2  -0.148412D+00 -0.310089D+00 -0.149789D+01  0.917745D+00  0.965805D+00
      3   0.306634D+00  0.216842D+00  0.917745D+00 -0.121820D+01 -0.114374D+01
               206           207           208           209           210 
      1   0.965805D+00 -0.114374D+01  0.171318D+00  0.128782D+01  0.128654D+00
      2   0.279836D+01 -0.252065D+01  0.128782D+01 -0.501415D+00 -0.815278D-01
      3  -0.252065D+01  0.608230D+01  0.128654D+00 -0.815278D-01  0.423683D+00
               211           212           213           214           215 
      1   0.329736D+01 -0.496930D+00 -0.303601D+00  0.294232D+00 -0.162302D+00
      2  -0.496930D+00  0.573450D+01 -0.772884D-01 -0.162302D+00  0.321752D+00
      3  -0.303601D+00 -0.772884D-01  0.102564D+01  0.502398D+00  0.350417D+00
               216 
      1   0.502398D+00
      2   0.350417D+00
      3  -0.286536D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.115532D+01  0.245958D-02 -0.361271D+00 -0.132677D+01  0.219617D+01
      2   0.942543D+00  0.138535D+00  0.127081D+01  0.582833D+00  0.161113D+01
      3  -0.111734D+01  0.442766D+00 -0.947272D+00  0.577746D+01 -0.738762D+00
                 6             7             8             9            10 
      1   0.611898D+00  0.622365D+00  0.390863D+01 -0.836100D+01 -0.667772D+00
      2   0.202426D+00 -0.281386D+01 -0.736897D-01 -0.518836D+01 -0.250771D+01
      3  -0.210365D+00 -0.521008D+00 -0.146935D+01 -0.101198D+01 -0.259694D+01
                11            12            13            14            15 
      1  -0.168596D+01 -0.666803D+00 -0.432850D+00 -0.152884D+01 -0.154482D+01
      2  -0.267105D+00  0.470367D+00  0.388290D+00 -0.137924D+01 -0.187255D+01
      3  -0.513318D+01 -0.138682D+00  0.742399D+00  0.249964D+01  0.237395D+01
                16            17            18            19            20 
      1  -0.108003D+01  0.220493D+01 -0.607561D+00 -0.180544D+01 -0.595548D-01
      2  -0.361646D+01 -0.108546D+01  0.121095D+02 -0.109765D+00  0.105001D+01
      3  -0.787170D+00  0.171507D+01  0.105938D+01  0.227330D+01 -0.409499D+01
                21            22            23            24            25 
      1   0.469351D+00 -0.959752D+00 -0.139335D+01 -0.728831D+00  0.287359D+00
      2   0.191608D+00  0.579706D+00  0.932720D+00 -0.355410D-01 -0.412698D+01
      3   0.263122D+00  0.225436D+01 -0.390929D+01 -0.142589D+01  0.173027D+01
                26            27            28            29            30 
      1   0.211779D+01  0.536302D+01 -0.169793D+01  0.477807D+00  0.101486D+01
      2   0.466884D+00 -0.458634D+01 -0.164824D+01  0.109664D+01 -0.261965D+01
      3  -0.898631D+00 -0.394359D+00 -0.556145D+01 -0.787730D+01  0.397475D+00
                31            32            33            34            35 
      1  -0.706034D+00  0.169184D+00 -0.296708D+00 -0.224676D+00  0.338265D+01
      2  -0.433140D+00 -0.108858D+01 -0.274164D+01 -0.534880D+01  0.736342D+00
      3  -0.410046D+01  0.539985D+01  0.198746D+01  0.922203D+00  0.903125D+00
                36            37            38            39            40 
      1   0.406891D+01  0.204130D+01 -0.348218D-01 -0.112410D+01  0.416134D+00
      2   0.135143D+02  0.444650D+00  0.111369D+00  0.103076D+02 -0.206381D+00
      3   0.455298D+00 -0.413627D+01 -0.113464D+01 -0.151561D+01  0.177161D+02
                41            42            43            44            45 
      1   0.807205D+00 -0.443432D+01  0.179689D+01  0.211426D+01 -0.855590D-01
      2  -0.922368D-01  0.564650D+00 -0.655555D+01 -0.139342D+01  0.108820D+01
      3   0.221002D+01 -0.399116D-01 -0.471866D+01 -0.630535D+00 -0.293931D+00
                46            47            48            49            50 
      1  -0.539153D+00  0.295679D-01 -0.592559D+00 -0.962106D+00 -0.833133D-01
      2   0.130486D+01  0.387386D+00 -0.403064D+01 -0.125966D-01  0.210062D+01
      3   0.771311D+01  0.331382D+01  0.842385D+00 -0.888317D-01 -0.225620D+01
                51            52            53            54            55 
      1  -0.117439D+01 -0.177723D+01  0.303455D+01  0.926307D+01 -0.390953D+01
      2   0.341276D+01 -0.405350D+01 -0.102812D+01 -0.140146D+02 -0.339464D+01
      3  -0.181389D+01  0.181509D+01 -0.186303D+01 -0.314190D+00  0.150698D+02
                56            57            58            59            60 
      1   0.157167D+01 -0.152495D+01  0.210511D+01 -0.379098D+01 -0.587077D+01
      2   0.255848D+01  0.998945D+00  0.658098D+00 -0.213336D+01 -0.442921D+00
      3  -0.519207D+01  0.256768D+01  0.394814D+01  0.872153D+01  0.175668D+00
                61            62            63            64            65 
      1  -0.107761D+01  0.111692D+01 -0.299166D+01  0.109150D+01 -0.385666D-01
      2  -0.426295D+01 -0.890155D-01 -0.108096D+01  0.984825D+00 -0.496677D+00
      3   0.582257D+01  0.153441D+01  0.166365D+01  0.417051D+00 -0.161591D+01
                66            67            68            69            70 
      1  -0.421706D+00  0.507959D-01  0.130201D+01 -0.544427D+00 -0.236077D+00
      2   0.100223D+01 -0.276068D+00  0.421947D+00  0.194532D-01 -0.389397D+01
      3  -0.957456D+00  0.541731D+00  0.162261D+00 -0.666391D+00 -0.241400D+01
                71            72            73            74            75 
      1   0.357570D+01  0.899627D+01 -0.100531D+01  0.219353D-01  0.142969D+01
      2  -0.382088D+00  0.505595D+01  0.527763D+01  0.121543D+01  0.420055D+01
      3  -0.110984D+01  0.793932D+00  0.106852D+02 -0.198377D+00 -0.275012D+00
                76            77            78            79            80 
      1  -0.193559D+01 -0.546645D+00 -0.241364D+01  0.149631D+01  0.305145D+01
      2   0.101785D+01  0.269255D+01 -0.369161D+01 -0.125192D+01 -0.164086D+01
      3   0.750375D+01  0.158451D+02 -0.190665D+01 -0.329256D+00 -0.495406D+01
                81            82            83            84            85 
      1   0.429308D+00  0.933710D-01  0.262679D+00 -0.250822D-01  0.617255D+00
      2   0.259760D+01 -0.188639D+01 -0.116281D+00  0.729828D+00  0.521330D-01
      3   0.839029D+00  0.678769D+00 -0.378211D+00  0.982228D-01  0.158197D+01
                86            87            88            89            90 
      1  -0.429252D+00 -0.162313D+01  0.343374D+00  0.405076D+01 -0.118445D+01
      2  -0.172964D+01  0.106271D+01 -0.326511D+01  0.322922D+00 -0.125006D+02
      3  -0.560829D+00  0.123810D+01  0.249776D+00  0.294137D+01 -0.717432D-01
                91            92            93            94            95 
      1  -0.880834D+00  0.208980D+00  0.538528D+00  0.168307D+00 -0.123999D+01
      2   0.136297D+01  0.274085D+00  0.337250D+00  0.591811D+00  0.221291D+00
      3  -0.331530D+00 -0.960794D+00  0.719839D+00  0.105227D+01  0.313215D+00
                96            97            98            99           100 
      1  -0.659967D+00 -0.381747D+00  0.411832D+01 -0.620005D+01  0.215617D+01
      2  -0.652885D+00 -0.449121D+01  0.298898D+00  0.472375D+01 -0.165335D+01
      3  -0.360932D+00  0.132254D+01 -0.116145D+01 -0.505050D-01  0.997429D+01
               101           102           103           104           105 
      1  -0.138701D+00 -0.209648D+01  0.869007D+00  0.440919D+01 -0.223210D+01
      2  -0.853035D+00  0.502873D+01  0.160795D+00 -0.172458D+01  0.993532D+00
      3  -0.112817D+02 -0.131967D+01 -0.181102D+01  0.140952D+02  0.231403D+01
               106           107           108           109           110 
      1  -0.147516D+01  0.361491D+01  0.164133D+01  0.166532D+01 -0.174705D+00
      2  -0.137094D+01  0.665597D+00 -0.124626D+01  0.320324D+01 -0.400005D+00
      3  -0.403166D+01  0.413417D+01  0.803669D+00  0.373418D+01  0.314582D+01
               111           112           113           114           115 
      1   0.201646D+01 -0.153988D+01  0.704012D+01 -0.115184D+01 -0.128468D+01
      2   0.114293D+01  0.466314D+00  0.342346D+01 -0.251996D+01 -0.478885D+01
      3  -0.134170D+01  0.119189D+02 -0.134622D+02 -0.345314D+01 -0.332671D+01
               116           117           118           119           120 
      1   0.262619D+01 -0.128798D+02 -0.405577D+00  0.118968D+00  0.628921D+00
      2   0.206278D+01 -0.173791D+02 -0.925780D+00 -0.346967D+00  0.188483D+01
      3  -0.385517D+01 -0.179705D+01  0.452225D+00 -0.124660D+00  0.852643D+00
               121           122           123           124           125 
      1  -0.466791D-01 -0.102696D+01 -0.712441D+00  0.332245D+00  0.356291D+01
      2  -0.115872D-01 -0.120761D+01  0.574655D-02 -0.382177D+01 -0.514726D+00
      3   0.202200D+01 -0.975623D+00  0.132123D+01  0.204092D+01  0.230098D+01
               126           127           128           129           130 
      1  -0.391990D+01 -0.100396D-01 -0.452540D+00 -0.164906D+01  0.356456D+00
      2  -0.102962D+02 -0.443045D+00 -0.155409D+01  0.570031D+01  0.527024D+00
      3  -0.280474D+00  0.573087D+01 -0.580460D+01  0.822125D+00  0.600760D+01
               131           132           133           134           135 
      1  -0.126876D-01 -0.282969D+01  0.190708D+01  0.500857D+01 -0.140575D+02
      2   0.800557D+00 -0.115945D+01 -0.123324D+01 -0.327949D+01  0.118337D+02
      3  -0.546536D+01 -0.644126D+00  0.430473D+00 -0.114665D+01  0.254670D+01
               136           137           138           139           140 
      1  -0.132351D+01  0.645126D-01 -0.359739D+00  0.666914D+00 -0.119275D+01
      2   0.193006D+01 -0.283297D-01  0.872338D+00  0.124814D+00  0.100051D+01
      3  -0.639582D+00 -0.126610D+01  0.171904D+01  0.730291D+00  0.983483D+00
               141           142           143           144           145 
      1  -0.650232D+00 -0.621360D+00  0.305976D+01 -0.915303D+01  0.307522D+01
      2  -0.213437D+00 -0.349778D+01  0.125409D+01  0.117753D+02  0.311429D+01
      3  -0.138008D+01  0.323974D+01 -0.182784D+01  0.647278D+00 -0.153036D+02
               146           147           148           149           150 
      1  -0.139207D+01  0.355724D+01 -0.111227D+01  0.131087D+01 -0.177995D+01
      2  -0.179207D+01  0.274475D+01 -0.120583D+01  0.109340D+01 -0.138977D+01
      3   0.287561D+01 -0.185908D+01  0.467791D+01 -0.243503D+01  0.167699D+00
               151           152           153           154           155 
      1   0.220870D+01 -0.112807D+01  0.641703D+00  0.139930D+01  0.806394D+00
      2   0.753289D+00 -0.129560D+01  0.605093D+00 -0.252434D+01 -0.126613D+01
      3  -0.379567D+01  0.432089D+00 -0.111547D+01 -0.100863D+02 -0.918266D+01
               156           157           158           159           160 
      1  -0.445966D+00  0.120313D+01  0.861961D+00 -0.426718D+00 -0.256117D+00
      2   0.382260D+01 -0.164271D+01 -0.167468D+01  0.290650D+01  0.199494D+01
      3   0.118671D+00 -0.780603D+01 -0.123982D+02  0.852308D+00  0.860524D+00
               161           162           163           164           165 
      1   0.873892D+00  0.367023D+00 -0.500569D+00  0.484683D+00  0.309264D+00
      2   0.938916D+00  0.727849D-03  0.473340D+00 -0.135909D+00 -0.253826D+00
      3   0.214786D+01 -0.782637D+00 -0.464340D+01  0.414354D+01  0.846750D+00
               166           167           168           169           170 
      1   0.403395D+00 -0.292539D+01 -0.371354D+01 -0.361804D+00 -0.146045D+01
      2  -0.357121D+00  0.739681D+00  0.163882D+01 -0.846987D+00  0.136501D+01
      3   0.648998D+01 -0.178182D+02 -0.167283D+01  0.196444D+01 -0.326756D+01
               171           172           173           174           175 
      1  -0.530283D+00 -0.105694D+01 -0.853401D+00 -0.162118D+01  0.975527D+00
      2   0.100143D+00 -0.412435D+01 -0.970139D+00  0.752997D+01  0.431754D+00
      3  -0.114328D+01 -0.908216D+01 -0.126045D+02  0.164491D+01 -0.807562D+01
               176           177           178           179           180 
      1   0.181974D+01 -0.330974D+01  0.220921D+01  0.384825D+01  0.236373D+00
      2  -0.147538D+01 -0.164841D+01  0.191337D+01 -0.771711D-01 -0.354444D+01
      3   0.199916D+02  0.101406D+01  0.204063D+01  0.383103D+01 -0.187295D+01
               181           182           183           184           185 
      1  -0.141678D+01  0.494943D+00  0.728816D+00  0.884462D+00 -0.491044D+01
      2  -0.134102D+01  0.521246D+00  0.143827D+01  0.416951D+00 -0.198691D+01
      3   0.193303D+01 -0.993336D+00  0.649677D+00  0.755863D+00  0.199105D+02
               186           187           188           189           190 
      1  -0.459994D+01  0.902242D+00 -0.154990D+01 -0.369226D+00  0.193082D+01
      2  -0.276492D+01  0.429096D+00 -0.284665D+01  0.234450D+00  0.332278D+01
      3   0.188438D+01  0.176312D+01  0.322430D+01  0.228624D+01 -0.133107D+00
               191           192           193           194           195 
      1  -0.493647D-01 -0.357228D-01 -0.153480D+00  0.106588D+01  0.651453D+00
      2  -0.165249D+00  0.921996D-01 -0.783055D+00  0.236918D+01  0.124093D+01
      3  -0.133251D+01 -0.142877D+01 -0.981182D+00  0.130210D+01 -0.194282D+01
               196           197           198           199           200 
      1   0.774335D+00  0.281687D+01  0.125130D+02  0.103790D+01 -0.574868D-02
      2  -0.265856D+01 -0.228759D+01  0.209626D+02 -0.205466D+01 -0.412620D-01
      3  -0.235761D+01 -0.331354D+01  0.210733D+01 -0.321711D+00  0.167083D+00
               201           202           203           204           205 
      1   0.950314D+00  0.562096D+00  0.242717D+01 -0.319270D+01 -0.294175D+01
      2  -0.759634D+00 -0.711775D+00 -0.226705D+01  0.288527D+01  0.125097D+00
      3  -0.123276D+01  0.473120D+00 -0.196852D+01  0.147831D+01 -0.284066D+01
               206           207           208           209           210 
      1  -0.405976D+01  0.159254D+02 -0.426843D+00  0.340829D+00 -0.718817D+00
      2   0.578495D+01 -0.136820D+02  0.930871D-01  0.222186D+00  0.471260D+00
      3   0.371090D+01 -0.301928D+01 -0.526240D+01  0.426992D+01  0.333156D+00
               211           212           213           214           215 
      1   0.558352D-01 -0.347103D+01  0.529444D-01 -0.607978D+00  0.927785D+00
      2  -0.358100D+00 -0.647783D+00  0.420030D+01  0.619275D-01  0.154501D+01
      3   0.529004D+01 -0.288938D+02  0.553423D+00  0.920105D+00 -0.137765D+01
               216 
      1   0.348495D-01
      2  -0.926105D+00
      3  -0.105466D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.888780D+00 -0.729834D+01 -0.668739D-02 -0.535629D+01  0.976949D+01
      2   0.246270D+01  0.970287D+01 -0.489867D+00  0.669363D+01 -0.203147D+02
      3  -0.335148D+01 -0.240453D+01  0.496555D+00 -0.133734D+01  0.105452D+02
      4  -0.432997D+01 -0.130246D+01 -0.702660D+00 -0.766093D+01  0.864872D+01
      5   0.138420D+01 -0.835851D+00 -0.177178D+00 -0.241902D+01  0.171071D+01
      6   0.390292D+00  0.145583D+01  0.618923D+00  0.243885D+01 -0.619866D+01
                 6             7             8             9            10 
      1   0.228305D+01  0.127594D+01  0.399652D+01  0.769845D+01 -0.177607D+02
      2  -0.174751D+01  0.222564D+00 -0.100020D+02  0.387374D+01  0.789851D+01
      3  -0.535542D+00 -0.149850D+01  0.600551D+01 -0.115722D+02  0.986221D+01
      4   0.222548D+01 -0.204689D+01  0.340136D+01  0.824678D-01  0.960718D+01
      5   0.456201D+00  0.164408D+01  0.124004D+01 -0.114014D+02 -0.711501D+01
      6  -0.655044D+01 -0.192429D+00 -0.189741D+01  0.213673D+02  0.321799D+00
                11            12            13            14            15 
      1   0.497683D+01 -0.185092D+01  0.976220D+01  0.698073D+01  0.126601D+01
      2  -0.156987D+01  0.362667D+01 -0.593748D+01 -0.253028D+01 -0.172521D+01
      3  -0.340696D+01 -0.177575D+01 -0.382472D+01 -0.445045D+01  0.459195D+00
      4  -0.248709D+01  0.100918D+01  0.547763D+01 -0.558576D+01 -0.194741D+01
      5   0.802388D+00 -0.297642D+01  0.273360D+01 -0.808709D+00 -0.362438D+01
      6  -0.174460D+01  0.189014D+01 -0.986269D+00  0.151775D+00  0.366933D+00
                16            17            18            19            20 
      1  -0.103093D+02  0.199154D+01  0.546525D+01 -0.558336D+01  0.736513D+00
      2   0.333392D+01 -0.199679D+01  0.713286D+01 -0.336921D+00 -0.616168D+01
      3   0.697538D+01  0.525221D-02 -0.125981D+02  0.592028D+01  0.542516D+01
      4   0.534577D+01 -0.309833D+01 -0.251898D+01 -0.550132D+01 -0.869382D+01
      5  -0.155198D+01 -0.235606D+01  0.311566D+02  0.270646D+01  0.138853D+01
      6   0.254101D+00  0.403779D+00  0.998687D+00  0.110466D+00  0.128444D+01
                21            22            23            24            25 
      1  -0.638726D+00 -0.606704D+01 -0.470126D+01 -0.162858D+01  0.238454D+01
      2  -0.186889D+01  0.374460D+00  0.349661D+01  0.172801D+00  0.741041D+00
      3   0.250762D+01  0.569258D+01  0.120465D+01  0.145577D+01 -0.312558D+01
      4   0.814859D+00 -0.994092D+01 -0.201676D+01  0.163049D+00  0.406289D+01
      5  -0.344165D+01  0.187171D+01  0.584931D+00 -0.626106D+00  0.624103D+00
      6  -0.137391D+01  0.212391D-01  0.276406D+01 -0.103240D+01 -0.817992D-01
                26            27            28            29            30 
      1   0.195037D+00  0.541193D+01 -0.100311D+02  0.983941D+01 -0.420211D+01
      2   0.175819D+01  0.876034D+01  0.364503D+01 -0.762175D+01  0.807258D+00
      3  -0.195323D+01 -0.141723D+02  0.638603D+01 -0.221767D+01  0.339485D+01
      4   0.371104D+01  0.121561D+01 -0.582623D-01 -0.803255D+01  0.306586D+01
      5   0.579725D+00 -0.109553D+02 -0.472701D+01  0.167096D+01 -0.880804D+01
      6   0.285179D+01 -0.128991D+02  0.430824D+01 -0.962983D+00  0.736138D+00
                31            32            33            34            35 
      1   0.721318D+01  0.387844D+01 -0.313084D+01 -0.243203D+01  0.197331D+00
      2  -0.488808D+01 -0.386784D+01  0.193319D-01 -0.127570D+01  0.147063D+01
      3  -0.232510D+01 -0.106013D-01  0.311151D+01  0.370774D+01 -0.166796D+01
      4  -0.657790D+01 -0.134531D+02 -0.145700D+01  0.201245D+01 -0.200875D+01
      5   0.220266D+00 -0.949465D+00 -0.438471D+01 -0.256887D+01  0.186405D+00
      6  -0.480008D+00  0.163341D+01 -0.196320D+01  0.722206D+00 -0.126618D+00
                36            37            38            39            40 
      1   0.541773D+01  0.667377D+00 -0.213735D+01 -0.119041D+01  0.196133D+00
      2   0.601485D+01  0.162732D+01  0.207953D+01 -0.363791D+00  0.760399D+00
      3  -0.114326D+02 -0.229470D+01  0.578221D-01  0.155420D+01 -0.956532D+00
      4   0.458169D+00 -0.272009D+01  0.155179D+02 -0.196165D+01  0.133208D+02
      5   0.240975D+02  0.145266D+01 -0.275488D+00  0.172963D+02 -0.128972D+01
      6  -0.990913D+01 -0.218347D+01  0.170423D+01  0.198039D+01 -0.429876D+00
                41            42            43            44            45 
      1  -0.143680D+02  0.409660D+01  0.884058D+00  0.280121D+01 -0.596420D+01
      2   0.195123D+02 -0.122977D+01 -0.195849D+01 -0.340400D+01 -0.687698D+00
      3  -0.514431D+01 -0.286683D+01  0.107443D+01  0.602788D+00  0.665190D+01
      4   0.273067D+01 -0.325533D+00 -0.675808D+01 -0.324248D+00 -0.133259D+01
      5  -0.717735D+00  0.173845D+01  0.457239D+01 -0.200255D+00  0.202789D+01
      6  -0.362092D+01  0.500396D+01 -0.881393D+00  0.637995D+01  0.106144D+01
                46            47            48            49            50 
      1  -0.849182D+01  0.313628D+01  0.450846D+01 -0.746770D+01 -0.350957D+01
      2   0.372136D+01 -0.804942D+01 -0.139753D+01 -0.824326D+00 -0.431595D+01
      3   0.477046D+01  0.491314D+01 -0.311093D+01  0.829203D+01  0.782551D+01
      4   0.247523D+01 -0.192498D+02 -0.526574D+00 -0.175533D+02 -0.369435D+01
      5   0.938123D+00 -0.631530D+00 -0.928916D+01  0.190574D+01  0.110043D+01
      6   0.212219D+00 -0.222101D+01 -0.159948D+01  0.718056D+00  0.198031D+01
                51            52            53            54            55 
      1  -0.122113D+01  0.397065D+01 -0.580697D+00  0.860532D+01 -0.418188D+01
      2  -0.413327D+00  0.144466D+01  0.622368D+01  0.791415D+01 -0.292680D+01
      3   0.163446D+01 -0.541532D+01 -0.564299D+01 -0.165195D+02  0.710867D+01
      4   0.205651D+01  0.252671D+01  0.259664D+01  0.165052D+01  0.215442D+02
      5   0.500130D+01 -0.192307D+01 -0.158964D+00 -0.267271D+02 -0.208301D+01
      6  -0.844880D+00  0.383240D+00 -0.193967D+00 -0.229861D+02  0.646511D+01
                56            57            58            59            60 
      1   0.104880D+01 -0.252467D+01  0.324606D+01 -0.310090D+02 -0.590310D+01
      2   0.422205D+01  0.421711D+00 -0.178013D+01  0.472565D+02  0.518490D+01
      3  -0.527085D+01  0.210296D+01 -0.146594D+01 -0.162475D+02  0.718198D+00
      4  -0.483911D+01  0.536732D+01  0.288021D+01 -0.137996D+02 -0.395381D+01
      5   0.101025D+01  0.346788D+01  0.142970D+01 -0.294581D+01 -0.149877D+01
      6  -0.177554D+01  0.205645D+01 -0.274111D+01  0.109508D+02  0.112142D+02
                61            62            63            64            65 
      1  -0.161855D+01 -0.934587D+01 -0.813773D+01  0.234337D-01  0.597636D+00
      2  -0.212415D+01  0.154735D+02  0.424745D+01 -0.315590D+01 -0.865760D+00
      3   0.374270D+01 -0.612760D+01  0.389028D+01  0.313247D+01  0.268123D+00
      4   0.102778D+02 -0.970546D+01 -0.178993D+01  0.890051D+00  0.209174D+01
      5   0.322268D+01 -0.353329D+01 -0.230799D+01  0.120599D+01 -0.959520D+00
      6  -0.222122D+00  0.134304D+02  0.645096D+01 -0.294598D+01 -0.503829D+00
                66            67            68            69            70 
      1   0.173384D+01  0.564935D+00 -0.414723D+01  0.258414D+01  0.191769D+01
      2  -0.631440D+00 -0.824438D+00  0.297377D+01 -0.332640D+01 -0.566586D+00
      3  -0.110240D+01  0.259502D+00  0.117346D+01  0.742266D+00 -0.135111D+01
      4  -0.250102D+01  0.193992D+01 -0.134651D+01  0.126497D+01 -0.338263D+01
      5   0.616753D+01 -0.717219D-01  0.112956D+01 -0.200319D-01  0.374324D+01
      6   0.973807D+00 -0.912423D-01 -0.355657D+01  0.637582D+01 -0.285071D+00
                71            72            73            74            75 
      1   0.479697D+01 -0.153611D+02  0.238659D+02 -0.209230D+02  0.502973D+01
      2  -0.448118D+01 -0.118180D+02 -0.130768D+02  0.107167D+02 -0.559523D+01
      3  -0.315797D+00  0.271791D+02 -0.107890D+02  0.102063D+02  0.565494D+00
      4   0.283228D+01 -0.530194D+00 -0.267182D+02  0.517188D+01 -0.707834D+00
      5  -0.113743D+01  0.100834D+02  0.959813D+01 -0.370989D+00  0.761368D+01
      6   0.609645D+01 -0.218478D+02 -0.255564D+01  0.732861D+00 -0.253633D+01
                76            77            78            79            80 
      1  -0.391699D+02 -0.616671D+01 -0.338253D+00  0.173742D+02 -0.421489D-01
      2   0.220682D+02  0.758862D+01  0.107794D+01 -0.109982D+02  0.163058D+00
      3   0.171017D+02 -0.142191D+01 -0.739691D+00 -0.637599D+01 -0.120909D+00
      4   0.532610D+01 -0.195084D+02  0.477015D+01 -0.350795D+01  0.680535D+01
      5  -0.300192D+01  0.506940D+01 -0.573605D+01  0.133707D+02 -0.394793D+01
      6   0.359996D+00 -0.195273D+01  0.512027D+01 -0.244278D+01  0.395044D+01
                81            82            83            84            85 
      1   0.356376D+01  0.284155D+01 -0.105221D+01 -0.420740D+01 -0.598419D+00
      2  -0.660965D+01 -0.412806D+01  0.518997D+00  0.257170D+01  0.210091D+00
      3   0.304590D+01  0.128651D+01  0.533215D+00  0.163570D+01  0.388328D+00
      4  -0.425854D+01 -0.101071D+01  0.103945D+01  0.161870D+00  0.135360D+01
      5   0.573167D+01 -0.437437D+01 -0.285839D+00  0.634015D+01 -0.571528D+00
      6  -0.114766D+01  0.234158D+00 -0.604706D-02  0.224002D+00 -0.113484D+01
                86            87            88            89            90 
      1  -0.362680D+01  0.252506D+00 -0.664650D+01  0.101449D+00 -0.129958D+02
      2   0.323690D+00  0.880873D+00  0.568297D+01  0.578773D+00 -0.149986D+02
      3   0.330311D+01 -0.113338D+01  0.963531D+00 -0.680222D+00  0.279943D+02
      4   0.169657D+01 -0.409454D+01  0.773239D-01 -0.492934D+01  0.116752D+01
      5  -0.413354D+01  0.233586D+01  0.715887D+01  0.147144D+01 -0.293900D+02
      6  -0.133579D+00  0.751771D+01 -0.888272D-01  0.431220D+01  0.122116D+01
                91            92            93            94            95 
      1   0.142518D+00 -0.324625D+00  0.200476D+01 -0.372146D+00 -0.192973D+01
      2  -0.259985D+01  0.642189D+00 -0.534062D+00  0.605424D+00 -0.918049D+00
      3   0.245733D+01 -0.317564D+00 -0.147070D+01 -0.233278D+00  0.284778D+01
      4  -0.205840D+00  0.228727D+01  0.142890D+01  0.278473D+01 -0.408985D-01
      5   0.168983D+01  0.127511D+00  0.547004D+01 -0.204540D+00  0.118550D+01
      6   0.164601D+01 -0.155652D+00 -0.750331D+00  0.258214D+00  0.135636D+01
                96            97            98            99           100 
      1  -0.501770D+00  0.214643D+01 -0.197135D+01 -0.154548D+02  0.237337D+02
      2   0.227863D+01 -0.172526D+01  0.291810D+01 -0.147025D+02 -0.934007D+01
      3  -0.177686D+01 -0.421174D+00 -0.946759D+00  0.301573D+02 -0.143936D+02
      4   0.142752D+01  0.245797D+01  0.263819D+01  0.239294D+00  0.207492D+02
      5  -0.856111D+00  0.465717D+01  0.273739D+00  0.110222D+02 -0.376194D+01
      6   0.588605D+01  0.507083D+00  0.418311D+01  0.127996D+02 -0.264931D+01
               101           102           103           104           105 
      1  -0.533989D+01 -0.194657D+01 -0.976449D+00  0.165451D+02  0.376097D+01
      2   0.133527D+02  0.311041D+01  0.613238D+01 -0.171706D+02 -0.395955D+01
      3  -0.801277D+01 -0.116384D+01 -0.515593D+01  0.625417D+00  0.198576D+00
      4   0.223759D+02 -0.193582D+01  0.177486D+02 -0.876108D+00 -0.273426D+01
      5  -0.376996D+00  0.888975D+01 -0.575381D+00 -0.426416D+01  0.136942D+01
      6  -0.864232D-02  0.349052D+01  0.137853D-01 -0.567052D+01  0.489798D+01
               106           107           108           109           110 
      1  -0.508593D+01  0.497749D+01  0.239890D+00 -0.958926D+01 -0.116108D+02
      2   0.195944D+01 -0.866126D+01 -0.293478D+01  0.780086D+01  0.532344D+01
      3   0.312649D+01  0.368377D+01  0.269489D+01  0.178840D+01  0.628738D+01
      4  -0.626941D+01 -0.776969D+01  0.397831D+01 -0.135356D+02  0.194471D+01
      5   0.795018D+01  0.248524D+01 -0.212512D+01  0.123652D+02 -0.224427D+01
      6   0.495592D+01  0.502742D+01 -0.308787D+01 -0.701044D+01  0.365596D+01
               111           112           113           114           115 
      1   0.407538D+01 -0.248050D+02  0.100959D+02  0.248574D+01  0.187733D+02
      2  -0.532815D+01  0.190050D+02 -0.270605D+02 -0.635469D+01 -0.815400D+01
      3   0.125277D+01  0.580007D+01  0.169646D+02  0.386895D+01 -0.106193D+02
      4  -0.507558D+01 -0.580786D+01  0.314667D+02  0.576992D+01 -0.177500D+01
      5  -0.127936D+01  0.143956D+01  0.595647D+01 -0.478767D+01 -0.190437D+01
      6  -0.361218D+01  0.547332D+00 -0.371064D+01  0.667812D+00  0.645881D+00
               116           117           118           119           120 
      1   0.177430D+01  0.136809D+02  0.252262D+01 -0.162610D+01 -0.197908D+01
      2  -0.508843D+01  0.720161D+01 -0.376974D+01  0.896930D+00  0.141080D+01
      3   0.331413D+01 -0.208825D+02  0.124712D+01  0.729171D+00  0.568277D+00
      4   0.748338D+01  0.408391D+01 -0.235663D+01  0.248160D+01  0.897406D+00
      5   0.374056D+01 -0.368001D+02 -0.274332D+01 -0.183100D+00  0.790206D+01
      6  -0.177357D+01  0.167689D+02  0.103355D+01  0.110955D+00 -0.807693D+00
               121           122           123           124           125 
      1  -0.142933D+01 -0.364609D+01 -0.708326D+00 -0.451985D+01 -0.116685D+01
      2   0.478873D+00  0.109335D+01  0.135756D+01  0.555432D+01  0.736490D+00
      3   0.950460D+00  0.255273D+01 -0.649231D+00 -0.103447D+01  0.430362D+00
      4   0.273635D+01  0.381868D+00 -0.195223D+01  0.291470D+01 -0.252948D+01
      5  -0.922045D-02 -0.269060D+01  0.578213D+00  0.660301D+01 -0.116686D+01
      6  -0.540416D+00  0.152626D+01  0.677037D+01 -0.118108D+01  0.478020D+01
               126           127           128           129           130 
      1  -0.154964D+02  0.171776D+02  0.207073D+01  0.425362D+00  0.537226D+01
      2  -0.130814D+02 -0.198220D+00  0.954017D+01  0.427407D+00  0.666095D+01
      3   0.285778D+02 -0.169793D+02 -0.116109D+02 -0.852769D+00 -0.120332D+02
      4  -0.125217D+01  0.243918D+02  0.279350D+02 -0.467661D+00  0.267182D+02
      5  -0.196717D+02 -0.174495D+01 -0.752813D+00  0.764133D+01  0.361917D+00
      6   0.990985D+01 -0.252911D+00 -0.978902D+00  0.380386D+01  0.882309D+00
               131           132           133           134           135 
      1  -0.626334D+01 -0.125788D+01 -0.268589D+00 -0.415747D+01  0.603376D+01
      2   0.267145D+02  0.192127D+01  0.865588D+00  0.379120D+01 -0.225431D+01
      3  -0.204511D+02 -0.663386D+00 -0.597000D+00  0.366275D+00 -0.377945D+01
      4   0.300357D+02  0.181126D+01  0.405603D+01  0.601373D+01 -0.210277D+01
      5   0.149511D+01 -0.123760D+01  0.410391D+01 -0.279526D+01  0.201999D+02
      6   0.175702D+01  0.295314D+01  0.740481D+00 -0.112817D+01  0.244382D+02
               136           137           138           139           140 
      1   0.127837D+00  0.569720D+00  0.336110D+01 -0.324194D+00 -0.298073D+01
      2  -0.254344D+01  0.452374D-01 -0.144237D+01  0.110064D+01  0.128633D+01
      3   0.241560D+01 -0.614957D+00 -0.191873D+01 -0.776449D+00  0.169439D+01
      4   0.136823D+01  0.392236D+01  0.278942D+01  0.399939D+01  0.152919D+01
      5   0.358276D+01  0.667512D+00  0.718322D+01 -0.305172D+00  0.239737D+01
      6   0.324073D+01 -0.173181D+00  0.483630D+00  0.101421D+00  0.331852D+01
               141           142           143           144           145 
      1  -0.182427D+01  0.273458D+01 -0.410467D+01 -0.165863D+02  0.107698D+02
      2   0.321472D+01 -0.320410D+01  0.236634D+01 -0.130150D+02  0.545402D+01
      3  -0.139046D+01  0.469514D+00  0.173833D+01  0.296013D+02 -0.162238D+02
      4   0.189938D+01  0.534996D+01  0.512865D+01  0.293953D+01 -0.323694D+02
      5  -0.634273D+00  0.744307D+01  0.332061D+01  0.221992D+02 -0.416909D-02
      6   0.672312D+01  0.276843D+01  0.760117D+01  0.224578D+02 -0.316243D+01
               146           147           148           149           150 
      1   0.526787D-01  0.190045D+01 -0.628070D+00 -0.238493D+01  0.324388D+00
      2  -0.126920D+02  0.447835D+00 -0.694172D+01  0.116313D+02 -0.151634D+01
      3   0.126394D+02 -0.234829D+01  0.756979D+01 -0.924634D+01  0.119195D+01
      4   0.230935D+02 -0.293814D+01  0.152684D+02 -0.135660D+02  0.160232D+01
      5   0.285228D+00  0.327128D+01  0.203005D+00  0.474321D+00 -0.186758D+01
      6   0.650913D+00 -0.549280D+01  0.100889D+01 -0.125030D+01  0.304475D+01
               151           152           153           154           155 
      1   0.158305D+01  0.108467D+01 -0.466864D+00  0.458268D+02  0.150836D+02
      2   0.129310D+01 -0.381390D+01  0.951637D+00 -0.250705D+02 -0.858663D+01
      3  -0.287615D+01  0.272923D+01 -0.484773D+00 -0.207563D+02 -0.649695D+01
      4  -0.662834D+01  0.459860D+01 -0.480451D+01  0.121845D+02  0.119484D+02
      5   0.400026D+01 -0.245999D+01  0.969553D+00  0.582603D+00  0.913100D-01
      6  -0.440300D+01  0.488667D+01 -0.106679D+01  0.119868D+01  0.100235D+01
               156           157           158           159           160 
      1  -0.986757D+00  0.297562D+02  0.123601D+02  0.112362D+00 -0.558083D+01
      2  -0.533763D-01 -0.167852D+02 -0.554860D+01 -0.620430D+00  0.315470D+01
      3   0.104013D+01 -0.129710D+02 -0.681152D+01  0.508068D+00  0.242613D+01
      4  -0.226480D+00  0.132805D+02  0.137808D+02 -0.113045D+01 -0.108258D+01
      5   0.629891D+01  0.118985D+01 -0.112032D+01  0.440542D+01  0.766981D+01
      6   0.667138D-01  0.115308D+01  0.102147D+01  0.233736D+00  0.617360D+00
               161           162           163           164           165 
      1  -0.140631D+01  0.445354D+01 -0.134622D+01  0.548430D+01  0.666805D+00
      2   0.680680D+00 -0.407390D+01  0.270689D+01 -0.630651D+01 -0.716907D+00
      3   0.725631D+00 -0.379636D+00 -0.136067D+01  0.822212D+00  0.501025D-01
      4  -0.205673D+01  0.181780D+01 -0.796862D+00  0.644023D+00  0.622727D+00
      5   0.217454D+01  0.163251D+00  0.497968D+00 -0.203531D+00 -0.200618D+00
      6   0.136389D+01 -0.441920D+00  0.111365D+01 -0.330507D+00 -0.161985D+00
               166           167           168           169           170 
      1   0.448568D+01 -0.257224D+02 -0.168470D+01  0.123239D+01 -0.427525D+01
      2  -0.757877D+00  0.427381D+02  0.305821D+01 -0.742697D+00  0.602109D+01
      3  -0.372780D+01 -0.170157D+02 -0.137351D+01 -0.489689D+00 -0.174584D+01
      4   0.687410D+01  0.231273D+02  0.144411D+01  0.118821D+01  0.363343D+01
      5  -0.166828D+00  0.246762D+01  0.312303D+01  0.140059D+01  0.263596D+01
      6  -0.114941D+00  0.322636D+01  0.521743D+01  0.715560D+00  0.658120D+01
               171           172           173           174           175 
      1  -0.364674D+01  0.726954D+02  0.284742D+01 -0.641196D+01  0.280347D+01
      2   0.337701D+01 -0.420759D+02 -0.984048D+00  0.721808D+01 -0.332125D+01
      3   0.269725D+00 -0.306195D+02 -0.186337D+01 -0.806115D+00  0.517778D+00
      4   0.252656D+01 -0.424532D+01  0.129831D+02  0.218167D+01  0.190801D+02
      5   0.219614D+00 -0.122520D+02  0.808758D+00  0.136264D+02  0.405334D+00
      6   0.131885D+01  0.319680D+01 -0.163103D+01  0.109710D+01 -0.114766D+01
               176           177           178           179           180 
      1   0.113690D+02  0.222423D+01 -0.197928D+02 -0.569742D+00  0.798553D+01
      2  -0.197599D+01  0.812731D+00  0.123295D+02 -0.109063D+00 -0.111272D+02
      3  -0.939306D+01 -0.303696D+01  0.746337D+01  0.678805D+00  0.314168D+01
      4  -0.270457D+02 -0.390850D+01  0.106863D+01 -0.502054D+01 -0.158985D+01
      5  -0.422811D+01 -0.312246D+01  0.191818D+02  0.392623D+00 -0.766303D+01
      6   0.147259D+01  0.659298D+01 -0.233726D+01  0.343684D+01 -0.115720D+00
               181           182           183           184           185 
      1   0.340634D+01 -0.588794D+01 -0.268095D+01 -0.561455D+01 -0.173448D+02
      2   0.259145D+01  0.112543D+01  0.874009D+00 -0.414174D+01  0.419904D+02
      3  -0.599780D+01  0.476252D+01  0.180694D+01  0.975629D+01 -0.246456D+02
      4  -0.838192D+01  0.103737D+02  0.141506D+01  0.187077D+02 -0.470471D+02
      5  -0.240600D+01  0.364904D+00  0.254777D+01  0.158025D+00 -0.311243D+01
      6   0.158865D+01 -0.403727D+00 -0.904915D+00  0.161670D+00  0.171249D+01
               186           187           188           189           190 
      1  -0.164454D+01 -0.473305D+01 -0.287618D+01 -0.341927D+01  0.104575D+01
      2   0.389417D+01  0.113960D+01  0.624756D+01  0.276365D+01 -0.389467D+01
      3  -0.224963D+01  0.359345D+01 -0.337138D+01  0.655622D+00  0.284892D+01
      4  -0.346393D+01  0.416375D+01 -0.796847D+01 -0.611177D+01  0.680865D+00
      5  -0.545616D+01  0.341430D+01 -0.616578D+01  0.714822D+00  0.604393D+01
      6   0.635389D+01 -0.192519D+01  0.724019D+01  0.160282D+01 -0.191186D+01
               191           192           193           194           195 
      1   0.123691D+01  0.707380D+01  0.479082D+01 -0.395452D+01  0.788293D+00
      2  -0.111540D+01 -0.353233D+01 -0.371239D+01  0.307579D+01 -0.245098D+01
      3  -0.121514D+00 -0.354147D+01 -0.107842D+01  0.878726D+00  0.166268D+01
      4   0.150454D+01 -0.209017D+01  0.136957D+01 -0.412751D+01  0.417540D+01
      5  -0.630616D+00  0.587607D+01  0.126088D+00  0.451211D+01  0.275066D+01
      6  -0.548118D+00  0.451690D+00  0.485940D+00 -0.159746D+01  0.411234D+01
               196           197           198           199           200 
      1   0.923417D+01  0.313423D+01 -0.182009D+02  0.155447D+01  0.260836D+01
      2  -0.712031D+01 -0.186143D+01 -0.135398D+02 -0.128728D+01 -0.158380D+01
      3  -0.211386D+01 -0.127280D+01  0.317408D+02 -0.267187D+00 -0.102456D+01
      4  -0.455427D+01  0.654500D+01 -0.592047D+01  0.228927D+01  0.164347D+01
      5   0.100564D+02 -0.589480D+01  0.439035D+02 -0.206278D+01 -0.556841D+00
      6  -0.265761D+01  0.773475D+01 -0.197576D+02 -0.226216D+01  0.960042D+00
               201           202           203           204           205 
      1  -0.361959D+01  0.650699D+00 -0.504327D+01  0.264501D+01 -0.416139D+01
      2   0.172759D+01  0.784873D+00  0.739193D+01 -0.451481D+01  0.132202D+01
      3   0.189200D+01 -0.143557D+01 -0.234865D+01  0.186981D+01  0.283937D+01
      4  -0.206586D+01  0.294622D+01  0.515442D+01 -0.369533D+01 -0.898601D+01
      5   0.706328D+00 -0.111786D+01 -0.332600D+01  0.459756D+01  0.629044D+01
      6  -0.194560D+01 -0.140605D+01 -0.580794D+01  0.757960D+01  0.519349D+01
               206           207           208           209           210 
      1   0.704001D+01 -0.105957D+02  0.661212D+00  0.738304D+01  0.104287D+01
      2  -0.831404D+01  0.190047D+01  0.101271D+01 -0.336527D+01 -0.477894D+00
      3   0.127403D+01  0.869527D+01 -0.167392D+01 -0.401776D+01 -0.564973D+00
      4  -0.113086D+02  0.985810D+01  0.715360D+01 -0.729707D+00 -0.270678D+00
      5   0.969306D+01 -0.237223D+02  0.909312D+00 -0.625820D+00  0.101110D+01
      6   0.143084D+02 -0.288319D+02 -0.126144D+00 -0.113815D+00  0.131185D+01
               211           212           213           214           215 
      1   0.232315D+02 -0.194980D+01 -0.183601D+01  0.184946D+01 -0.450314D+00
      2  -0.134883D+02  0.212800D+01  0.169808D+01 -0.962236D+00  0.446750D+00
      3  -0.974322D+01 -0.178194D+00  0.137932D+00 -0.887221D+00  0.356391D-02
      4  -0.104620D+01  0.346599D+02 -0.264515D+00 -0.511108D+00  0.133196D+01
      5  -0.231188D+01  0.213354D+00  0.749578D+01  0.406627D+01  0.272664D+01
      6   0.604187D+00 -0.108801D+01 -0.110377D+01  0.298788D+00  0.217485D+01
               216 
      1   0.101162D+01
      2  -0.205325D+01
      3   0.104164D+01
      4   0.219398D+01
      5  -0.204256D+01
      6  -0.197626D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:04:04 2021, MaxMem=  5368709120 cpu:           28420.8 elap:            3561.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30638 -19.30434 -19.29921 -19.29890 -19.29688
 Alpha  occ. eigenvalues --  -19.26486 -10.41648 -10.36699 -10.36679 -10.36666
 Alpha  occ. eigenvalues --  -10.36484 -10.34432  -1.20748  -1.17008  -1.15900
 Alpha  occ. eigenvalues --   -1.13983  -1.13776  -1.12183  -0.90839  -0.88526
 Alpha  occ. eigenvalues --   -0.79623  -0.76513  -0.73355  -0.70725  -0.66314
 Alpha  occ. eigenvalues --   -0.65136  -0.62754  -0.61169  -0.60170  -0.59330
 Alpha  occ. eigenvalues --   -0.57544  -0.54976  -0.54473  -0.52382  -0.51041
 Alpha  occ. eigenvalues --   -0.49478  -0.48413  -0.48117  -0.47012  -0.46010
 Alpha  occ. eigenvalues --   -0.44412  -0.42237  -0.40961  -0.39530  -0.38780
 Alpha  occ. eigenvalues --   -0.38120  -0.36495  -0.35505
 Alpha virt. eigenvalues --    0.02995   0.03675   0.04228   0.04781   0.06121
 Alpha virt. eigenvalues --    0.06219   0.06475   0.06923   0.07135   0.08671
 Alpha virt. eigenvalues --    0.09174   0.09660   0.10722   0.11489   0.12212
 Alpha virt. eigenvalues --    0.12447   0.12917   0.13472   0.14022   0.14374
 Alpha virt. eigenvalues --    0.14981   0.15592   0.15854   0.16146   0.16467
 Alpha virt. eigenvalues --    0.17219   0.17270   0.17481   0.18679   0.18938
 Alpha virt. eigenvalues --    0.19108   0.19602   0.19844   0.20271   0.21601
 Alpha virt. eigenvalues --    0.22056   0.22252   0.23264   0.23420   0.23791
 Alpha virt. eigenvalues --    0.25249   0.25427   0.25824   0.26021   0.27501
 Alpha virt. eigenvalues --    0.27888   0.28215   0.28710   0.29057   0.29308
 Alpha virt. eigenvalues --    0.29556   0.29664   0.29962   0.30840   0.31347
 Alpha virt. eigenvalues --    0.31830   0.32570   0.32835   0.33170   0.33526
 Alpha virt. eigenvalues --    0.33810   0.34294   0.34663   0.34886   0.35561
 Alpha virt. eigenvalues --    0.36241   0.36273   0.36364   0.37422   0.38013
 Alpha virt. eigenvalues --    0.38488   0.38712   0.39431   0.40128   0.40813
 Alpha virt. eigenvalues --    0.42039   0.42612   0.42745   0.43231   0.44015
 Alpha virt. eigenvalues --    0.44657   0.45247   0.45577   0.46094   0.46399
 Alpha virt. eigenvalues --    0.47836   0.48335   0.48832   0.48868   0.49597
 Alpha virt. eigenvalues --    0.50233   0.50546   0.50733   0.52575   0.52938
 Alpha virt. eigenvalues --    0.55043   0.55181   0.56347   0.56815   0.58195
 Alpha virt. eigenvalues --    0.58334   0.58887   0.59863   0.60064   0.60627
 Alpha virt. eigenvalues --    0.61025   0.61802   0.62775   0.64081   0.64558
 Alpha virt. eigenvalues --    0.65276   0.66282   0.66719   0.66920   0.68280
 Alpha virt. eigenvalues --    0.68632   0.69339   0.70772   0.71096   0.71369
 Alpha virt. eigenvalues --    0.71855   0.72250   0.73447   0.74542   0.75298
 Alpha virt. eigenvalues --    0.75998   0.76555   0.77393   0.77670   0.78203
 Alpha virt. eigenvalues --    0.78748   0.79458   0.80206   0.81196   0.81756
 Alpha virt. eigenvalues --    0.83147   0.83615   0.84036   0.85023   0.86057
 Alpha virt. eigenvalues --    0.86912   0.86968   0.87715   0.88338   0.89525
 Alpha virt. eigenvalues --    0.90431   0.90890   0.93168   0.94150   0.94801
 Alpha virt. eigenvalues --    0.94823   0.96941   0.97777   0.98397   0.99521
 Alpha virt. eigenvalues --    1.00276   1.00990   1.03174   1.03767   1.04719
 Alpha virt. eigenvalues --    1.05772   1.07272   1.08927   1.11180   1.12213
 Alpha virt. eigenvalues --    1.12926   1.13169   1.14008   1.15731   1.16470
 Alpha virt. eigenvalues --    1.17207   1.18804   1.19094   1.19910   1.21749
 Alpha virt. eigenvalues --    1.21881   1.22689   1.23247   1.25172   1.26707
 Alpha virt. eigenvalues --    1.28136   1.28925   1.29971   1.30001   1.31810
 Alpha virt. eigenvalues --    1.32516   1.33525   1.36567   1.37938   1.38558
 Alpha virt. eigenvalues --    1.40807   1.41904   1.43439   1.44764   1.47814
 Alpha virt. eigenvalues --    1.49117   1.50413   1.51333   1.51727   1.52815
 Alpha virt. eigenvalues --    1.54755   1.56535   1.57056   1.59018   1.59975
 Alpha virt. eigenvalues --    1.61181   1.63826   1.65276   1.65661   1.66754
 Alpha virt. eigenvalues --    1.67993   1.68870   1.71215   1.71458   1.72976
 Alpha virt. eigenvalues --    1.73943   1.75030   1.76136   1.78250   1.79120
 Alpha virt. eigenvalues --    1.81668   1.83420   1.83745   1.86406   1.86800
 Alpha virt. eigenvalues --    1.88128   1.89761   1.91140   1.92348   1.93409
 Alpha virt. eigenvalues --    1.94033   1.95705   1.97639   1.98747   1.99379
 Alpha virt. eigenvalues --    2.00204   2.01925   2.02741   2.04681   2.06153
 Alpha virt. eigenvalues --    2.06850   2.07020   2.09518   2.10044   2.11307
 Alpha virt. eigenvalues --    2.12736   2.14170   2.14967   2.16688   2.17959
 Alpha virt. eigenvalues --    2.19213   2.20864   2.21424   2.25151   2.27145
 Alpha virt. eigenvalues --    2.27528   2.27957   2.29737   2.31697   2.32855
 Alpha virt. eigenvalues --    2.34003   2.34789   2.36872   2.37551   2.39676
 Alpha virt. eigenvalues --    2.40854   2.42679   2.43688   2.47517   2.48089
 Alpha virt. eigenvalues --    2.49617   2.51504   2.54046   2.55683   2.55985
 Alpha virt. eigenvalues --    2.59594   2.61664   2.62242   2.63363   2.64876
 Alpha virt. eigenvalues --    2.67725   2.69603   2.70097   2.72909   2.75939
 Alpha virt. eigenvalues --    2.76532   2.78490   2.80130   2.81655   2.83250
 Alpha virt. eigenvalues --    2.85790   2.89807   2.91244   2.95308   2.95674
 Alpha virt. eigenvalues --    3.07017   3.12876   3.17031   3.20475   3.24226
 Alpha virt. eigenvalues --    3.29225   3.33553   3.40963   3.47364   3.48591
 Alpha virt. eigenvalues --    3.50058   3.51533   3.52381   3.53251   3.54685
 Alpha virt. eigenvalues --    3.55206   3.56285   3.56811   3.57644   3.58348
 Alpha virt. eigenvalues --    3.59067   3.60379   3.60900   3.62558   3.64999
 Alpha virt. eigenvalues --    3.66707   3.68765   3.72675   3.77228   3.77734
 Alpha virt. eigenvalues --    3.82946   3.87968   3.93181   3.94270   4.02371
 Alpha virt. eigenvalues --    4.07822   4.09579   4.12745   4.15859   4.20447
 Alpha virt. eigenvalues --    4.40185
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.014240  -0.915010  -0.804673  -0.044712  -0.060002   0.168829
     2  C   -0.915010   7.699863  -0.994549   0.395173   0.190721  -0.852063
     3  C   -0.804673  -0.994549   9.426753  -2.502917   0.232215   0.462822
     4  C   -0.044712   0.395173  -2.502917   9.325744  -0.704720  -0.650862
     5  O   -0.060002   0.190721   0.232215  -0.704720   9.165582   0.076902
     6  C    0.168829  -0.852063   0.462822  -0.650862   0.076902   5.966531
     7  O   -0.441720   0.198791   0.072852   0.084196   0.001079  -0.029427
     8  H   -0.717943   0.423889  -0.250991   0.079145  -0.000273  -0.246095
     9  O    0.118860  -0.469278   0.109667  -0.031342  -0.012627   0.151045
    10  H   -0.343446  -0.505935   0.081533  -0.067427  -0.023134   0.214461
    11  H    0.134284   0.005437  -0.691817   0.078395  -0.026551  -0.068282
    12  O    0.187403   0.007694  -0.492908   0.140892   0.007871   0.000352
    13  C   -0.289586   0.129482  -0.173949  -0.240255   0.125850  -0.123450
    14  H   -0.034150   0.145996   0.498242  -1.111972   0.009684   0.002449
    15  O   -0.032619   0.041447  -0.013360  -0.000811  -0.072678   0.112074
    16  H   -0.031693  -0.179622   0.151642   0.037093  -0.059559  -0.200057
    17  H    0.099702  -0.096685   0.002972  -0.003912  -0.002203   0.016954
    18  H   -0.009062   0.084870  -0.017507   0.012313   0.000869  -0.089475
    19  H   -0.062259  -0.006127   0.091176  -0.046706   0.000570   0.000112
    20  O    0.010271   0.009526  -0.008487  -0.084849   0.055944  -0.012407
    21  H    0.000885  -0.031902   0.011733   0.525482  -0.118009   0.016850
    22  H    0.031724   0.029068  -0.117309  -0.019925  -0.034017  -0.026116
    23  H    0.026581  -0.079540   0.012481   0.015497  -0.013193  -0.070828
    24  H   -0.012557   0.001246   0.012315  -0.023980  -0.000036   0.000540
               7          8          9         10         11         12
     1  C   -0.441720  -0.717943   0.118860  -0.343446   0.134284   0.187403
     2  C    0.198791   0.423889  -0.469278  -0.505935   0.005437   0.007694
     3  C    0.072852  -0.250991   0.109667   0.081533  -0.691817  -0.492908
     4  C    0.084196   0.079145  -0.031342  -0.067427   0.078395   0.140892
     5  O    0.001079  -0.000273  -0.012627  -0.023134  -0.026551   0.007871
     6  C   -0.029427  -0.246095   0.151045   0.214461  -0.068282   0.000352
     7  O    8.589522  -0.091166  -0.014682   0.024839  -0.018816  -0.025583
     8  H   -0.091166   2.027353  -0.041226   0.085589   0.083174   0.028674
     9  O   -0.014682  -0.041226   8.579120  -0.087549  -0.003203  -0.003266
    10  H    0.024839   0.085589  -0.087549   1.929849   0.035769   0.005947
    11  H   -0.018816   0.083174  -0.003203   0.035769   1.990212  -0.055027
    12  O   -0.025583   0.028674  -0.003266   0.005947  -0.055027   8.544994
    13  C   -0.004976   0.083791  -0.000893   0.045423  -0.078611   0.026558
    14  H   -0.009804   0.010154  -0.015135  -0.001516   0.090805  -0.053921
    15  O    0.000233  -0.000312   0.002936  -0.011371   0.000674   0.000737
    16  H    0.000363  -0.001616   0.020495   0.099205  -0.001695  -0.006962
    17  H    0.313133  -0.082982   0.016185  -0.012721   0.001943   0.004618
    18  H    0.004089   0.007715   0.313418  -0.054389  -0.001640   0.000081
    19  H    0.020392  -0.004072  -0.000058   0.000235  -0.045484   0.326437
    20  O    0.000422  -0.001938  -0.000037   0.001633  -0.012818  -0.000023
    21  H    0.000447   0.002436   0.000880  -0.003813   0.018334  -0.005523
    22  H   -0.002815   0.003675  -0.001196   0.006161  -0.011467   0.009737
    23  H   -0.001138  -0.001358   0.006488   0.006902   0.000010  -0.000311
    24  H   -0.000617   0.001941   0.000030   0.000377   0.002345   0.018155
              13         14         15         16         17         18
     1  C   -0.289586  -0.034150  -0.032619  -0.031693   0.099702  -0.009062
     2  C    0.129482   0.145996   0.041447  -0.179622  -0.096685   0.084870
     3  C   -0.173949   0.498242  -0.013360   0.151642   0.002972  -0.017507
     4  C   -0.240255  -1.111972  -0.000811   0.037093  -0.003912   0.012313
     5  O    0.125850   0.009684  -0.072678  -0.059559  -0.002203   0.000869
     6  C   -0.123450   0.002449   0.112074  -0.200057   0.016954  -0.089475
     7  O   -0.004976  -0.009804   0.000233   0.000363   0.313133   0.004089
     8  H    0.083791   0.010154  -0.000312  -0.001616  -0.082982   0.007715
     9  O   -0.000893  -0.015135   0.002936   0.020495   0.016185   0.313418
    10  H    0.045423  -0.001516  -0.011371   0.099205  -0.012721  -0.054389
    11  H   -0.078611   0.090805   0.000674  -0.001695   0.001943  -0.001640
    12  O    0.026558  -0.053921   0.000737  -0.006962   0.004618   0.000081
    13  C    5.498800  -0.274848   0.006403   0.024223  -0.005223   0.000817
    14  H   -0.274848   2.381422  -0.001690  -0.052235  -0.000201   0.002011
    15  O    0.006403  -0.001690   8.336535  -0.187284  -0.000122   0.025808
    16  H    0.024223  -0.052235  -0.187284   1.727816  -0.001034  -0.016381
    17  H   -0.005223  -0.000201  -0.000122  -0.001034   0.607562  -0.002428
    18  H    0.000817   0.002011   0.025808  -0.016381  -0.002428   0.606667
    19  H    0.003467   0.002449  -0.000128   0.000438  -0.002691  -0.000111
    20  O    0.077605  -0.004104   0.000522   0.001513   0.000048  -0.000014
    21  H   -0.182706  -0.123914  -0.001299   0.001339  -0.000045  -0.000133
    22  H    0.245069   0.102228  -0.001285  -0.000322   0.000126   0.000271
    23  H   -0.004714  -0.000916   0.348900   0.031257   0.000063  -0.000083
    24  H   -0.029960   0.016616   0.000207  -0.001112  -0.000065  -0.000027
              19         20         21         22         23         24
     1  C   -0.062259   0.010271   0.000885   0.031724   0.026581  -0.012557
     2  C   -0.006127   0.009526  -0.031902   0.029068  -0.079540   0.001246
     3  C    0.091176  -0.008487   0.011733  -0.117309   0.012481   0.012315
     4  C   -0.046706  -0.084849   0.525482  -0.019925   0.015497  -0.023980
     5  O    0.000570   0.055944  -0.118009  -0.034017  -0.013193  -0.000036
     6  C    0.000112  -0.012407   0.016850  -0.026116  -0.070828   0.000540
     7  O    0.020392   0.000422   0.000447  -0.002815  -0.001138  -0.000617
     8  H   -0.004072  -0.001938   0.002436   0.003675  -0.001358   0.001941
     9  O   -0.000058  -0.000037   0.000880  -0.001196   0.006488   0.000030
    10  H    0.000235   0.001633  -0.003813   0.006161   0.006902   0.000377
    11  H   -0.045484  -0.012818   0.018334  -0.011467   0.000010   0.002345
    12  O    0.326437  -0.000023  -0.005523   0.009737  -0.000311   0.018155
    13  C    0.003467   0.077605  -0.182706   0.245069  -0.004714  -0.029960
    14  H    0.002449  -0.004104  -0.123914   0.102228  -0.000916   0.016616
    15  O   -0.000128   0.000522  -0.001299  -0.001285   0.348900   0.000207
    16  H    0.000438   0.001513   0.001339  -0.000322   0.031257  -0.001112
    17  H   -0.002691   0.000048  -0.000045   0.000126   0.000063  -0.000065
    18  H   -0.000111  -0.000014  -0.000133   0.000271  -0.000083  -0.000027
    19  H    0.578639  -0.000037   0.001017  -0.001899   0.000177  -0.001925
    20  O   -0.000037   8.381766  -0.161314  -0.018158  -0.000400   0.287074
    21  H    0.001017  -0.161314   1.683116  -0.370342   0.001810   0.014526
    22  H   -0.001899  -0.018158  -0.370342   1.462521  -0.000044  -0.037289
    23  H    0.000177  -0.000400   0.001810  -0.000044   0.627823  -0.000074
    24  H   -0.001925   0.287074   0.014526  -0.037289  -0.000074   0.607850
 Mulliken charges:
               1
     1  C    1.006655
     2  C    0.767507
     3  C    0.902065
     4  C    0.840459
     5  O   -0.740283
     6  C    1.179143
     7  O   -0.669616
     8  H   -0.397561
     9  O   -0.638632
    10  H   -0.426620
    11  H   -0.425970
    12  O   -0.666628
    13  C    1.141686
    14  H   -0.577650
    15  O   -0.553516
    16  H   -0.355811
    17  H    0.147009
    18  H    0.132322
    19  H    0.146390
    20  O   -0.521733
    21  H   -0.279855
    22  H   -0.248397
    23  H    0.094611
    24  H    0.144424
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.609094
     2  C    0.340887
     3  C    0.476095
     4  C    0.262810
     5  O   -0.740283
     6  C    0.823332
     7  O   -0.522607
     9  O   -0.506310
    12  O   -0.520238
    13  C    0.613435
    15  O   -0.458905
    20  O   -0.377309
 Electronic spatial extent (au):  <R**2>=           2204.6616
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.8516    Y=              0.9173    Z=              1.3411  Tot=              3.2820
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.2054   YY=            -72.2193   ZZ=            -69.4358
   XY=              2.5965   XZ=             -0.0907   YZ=             -3.0129
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2519   YY=              1.7342   ZZ=              4.5177
   XY=              2.5965   XZ=             -0.0907   YZ=             -3.0129
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -68.6265  YYY=             23.1797  ZZZ=              2.2441  XYY=              5.4026
  XXY=             12.3924  XXZ=             18.6017  XZZ=             -5.7394  YZZ=             -7.0338
  YYZ=              3.4014  XYZ=              6.5077
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1755.9758 YYYY=           -863.8519 ZZZZ=           -142.5081 XXXY=             71.4931
 XXXZ=              4.1052 YYYX=            -17.5911 YYYZ=            -30.3054 ZZZX=             -4.6641
 ZZZY=             -5.9763 XXYY=           -394.3896 XXZZ=           -295.8278 YYZZ=           -167.6527
 XXYZ=            -16.6022 YYXZ=            -12.3031 ZZXY=             16.9958
 N-N= 8.278039507638D+02 E-N=-3.267597371809D+03  KE= 6.830798143862D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:04:04 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13522586D+00 3.98649781D-01 5.37424069D-01
 Polarizability= 1.05978568D+02 1.14144168D+00 9.45385685D+01
                -2.54044739D-01-1.48328991D+00 7.80443162D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1590    0.1587        0.5539    0.5520
 2     -0.1590   -0.1587        0.8579    0.8579       -5.8038   -5.8005
 3     -0.5539   -0.5520       14.0471   14.0438       -0.8597   -0.8579
 4     -0.8579   -0.8579       -0.0000    0.0000       -0.5525   -0.5520
 5     -8.2433   -8.2433        0.5525    0.5520        0.1564    0.1587
 6      0.8597    0.8579       -0.1564   -0.1587        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.4762   -0.4762        1.6560    1.6560
 2     -2.5738   -2.5738       -0.0000    0.0000        1.6560    1.6560
 3     -2.5738   -2.5738       -0.4762   -0.4762       -0.0000    0.0000
 4     -0.4762   -0.4762        2.5738    2.5738      -17.4015  -17.4015
 5     -1.6560   -1.6560       42.1314   42.1314       -2.5738   -2.5738
 6    -24.7299  -24.7299        1.6560    1.6560        0.4762    0.4762
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0260    0.0000       -0.7816   -0.6349       -2.4856   -2.2079
 2      0.4881    0.6349       -3.3605   -3.4317       23.2277   23.2020
 3      2.1482    2.2079      -56.2000  -56.1752        3.2751    3.4317
 4      3.7272    3.4317        0.0209    0.0000        2.1969    2.2079
 5     33.1687   32.9732       -2.0641   -2.2079       -0.6020   -0.6349
 6     -3.2737   -3.4317        0.4394    0.6349       -0.0597    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0332    0.0000        0.0904    0.0154        8.3797    8.3768
 2     -0.1862   -0.0154       -6.6535   -6.6333       -3.3986   -3.6607
 3     -8.3708   -8.3768        6.2531    6.7304        6.4217    6.6333
 4      6.6147    6.6333       -0.0005    0.0000       -8.3953   -8.3768
 5     -2.6915   -3.0698        8.0745    8.3768        0.1850    0.0154
 6     -6.6858   -6.6333       -0.0809   -0.0154       -0.0140    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.5454  -18.5118        8.2469    8.1749      -21.7008  -21.8002
 2    -15.4434  -15.4413       11.0985   10.9889      -21.7004  -21.8002
 3    -15.4913  -15.4413        8.2380    8.1749      -29.0994  -29.1765
 4     -2.7780   -2.8140       -3.0373   -3.0704       -1.2321   -1.4407
 5     -7.5255   -7.3763        7.9062    8.4281        3.0331    3.0704
 6     -6.3307   -6.9874        7.2707    7.3763        3.0139    2.8140
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6732   -2.7070    0.0003    0.0006    0.0010    6.4737
 Low frequencies ---   67.8553  106.8782  118.5166
 Diagonal vibrational polarizability:
       65.1609274      43.8493010      55.7031364
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     67.8544               106.8782               118.5160
 Red. masses --      7.1080                 4.8062                 5.5030
 Frc consts  --      0.0193                 0.0323                 0.0455
 IR Inten    --      0.6705                 1.1044                 3.0340
 RamAct Fr= 1--      0.0317                 0.0388                 0.0119
  Dep-P Fr= 1--      0.7474                 0.7477                 0.4427
  Dep-U Fr= 1--      0.8555                 0.8556                 0.6137
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0045                 0.0055                 0.0012
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0002
 Gamma2 Fr= 1--      0.0075                 0.0724                -0.0248
 Delta2 Fr= 1--      0.0193                 0.0473                -0.0254
 Raman1 Fr= 1--       0.127                  0.155                  0.048
 ROA1   Fr= 1--       1.337                  8.465                 -3.190
 CID1   Fr= 1--      10.547                 54.550                -66.781
 Raman2 Fr= 1--       0.054                  0.066                  0.015
 ROA2   Fr= 1--       0.026                  1.359                 -0.391
 CID2   Fr= 1--       0.473                 20.468                -26.681
 Raman3 Fr= 1--       0.108                  0.133                  0.029
 ROA3   Fr= 1--       1.337                  8.465                 -3.190
 CID3   Fr= 1--      12.329                 63.753               -108.811
 RC180  Fr= 1--       0.711                  0.711                  0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.03  -0.08     0.01   0.02   0.05
     2   6     0.03  -0.01   0.09     0.02   0.01  -0.00    -0.03   0.01  -0.08
     3   6     0.03   0.01  -0.14    -0.02  -0.06   0.02     0.03  -0.03  -0.07
     4   6     0.02  -0.02  -0.09    -0.00  -0.00  -0.11    -0.02  -0.03  -0.09
     5   8    -0.00  -0.02  -0.15     0.01  -0.05  -0.17    -0.01  -0.00  -0.01
     6   6    -0.02   0.03  -0.07    -0.05  -0.02   0.00    -0.03  -0.04   0.04
     7   8     0.03  -0.00  -0.00     0.04   0.02  -0.21     0.05  -0.06   0.27
     8   1    -0.13  -0.02  -0.02     0.07  -0.13  -0.09    -0.03   0.18   0.06
     9   8    -0.06   0.02   0.31    -0.01   0.02   0.08     0.05   0.02  -0.26
    10   1     0.20  -0.09   0.10     0.09   0.04   0.00    -0.17   0.05  -0.08
    11   1     0.13   0.09  -0.14    -0.13  -0.19   0.02     0.12  -0.03  -0.07
    12   8    -0.02  -0.01  -0.30     0.02   0.01   0.25    -0.02  -0.01  -0.15
    13   6    -0.05  -0.03   0.08    -0.01  -0.06  -0.15    -0.02  -0.06  -0.12
    14   1     0.11  -0.03  -0.08    -0.01   0.10  -0.11    -0.08  -0.03  -0.09
    15   8    -0.00  -0.00  -0.13    -0.01   0.02   0.19    -0.01   0.01   0.21
    16   1    -0.07   0.14  -0.07    -0.22  -0.07   0.00    -0.10  -0.15   0.04
    17   1    -0.01  -0.03   0.12     0.02  -0.02  -0.20     0.10   0.07   0.22
    18   1    -0.01  -0.02   0.30    -0.03   0.07   0.18    -0.03   0.10  -0.19
    19   1     0.01  -0.00  -0.27    -0.09  -0.01   0.21     0.03  -0.02  -0.05
    20   8     0.06   0.05   0.36     0.01   0.13   0.10    -0.00   0.14   0.15
    21   1     0.02  -0.01  -0.01     0.06  -0.00  -0.39     0.07  -0.00  -0.36
    22   1    -0.26  -0.14   0.09    -0.11  -0.33  -0.12    -0.14  -0.33  -0.09
    23   1     0.08  -0.13  -0.16     0.16   0.04   0.17     0.01   0.17   0.23
    24   1    -0.04   0.04   0.28    -0.06   0.11   0.27    -0.14   0.12   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    164.5387               209.8577               231.1682
 Red. masses --      4.6463                 3.1841                 3.0105
 Frc consts  --      0.0741                 0.0826                 0.0948
 IR Inten    --      6.7103                 3.2488                14.5537
 RamAct Fr= 1--      0.0981                 0.1501                 0.2287
  Dep-P Fr= 1--      0.4377                 0.6916                 0.7477
  Dep-U Fr= 1--      0.6089                 0.8177                 0.8557
 Alpha2 Fr= 1--      0.0006                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0100                 0.0205                 0.0326
 AlphaG Fr= 1--     -0.0006                -0.0013                -0.0003
 Gamma2 Fr= 1--     -0.0037                -0.0166                 0.0491
 Delta2 Fr= 1--     -0.0427                 0.0314                 0.0544
 Raman1 Fr= 1--       0.392                  0.600                  0.915
 ROA1   Fr= 1--      -1.720                 -0.585                  6.455
 CID1   Fr= 1--      -4.384                 -0.974                  7.056
 Raman2 Fr= 1--       0.119                  0.245                  0.391
 ROA2   Fr= 1--       0.253                 -0.648                  0.743
 CID2   Fr= 1--       2.122                 -2.641                  1.899
 Raman3 Fr= 1--       0.239                  0.491                  0.783
 ROA3   Fr= 1--      -1.720                 -0.585                  6.455
 CID3   Fr= 1--      -7.199                 -1.191                  8.247
 RC180  Fr= 1--       0.218                  0.635                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.02     0.01   0.00  -0.05     0.04  -0.05   0.01
     2   6    -0.00  -0.01   0.06     0.02   0.00  -0.04     0.03  -0.03  -0.02
     3   6     0.03  -0.07   0.04    -0.04  -0.07  -0.05     0.03  -0.00   0.03
     4   6    -0.03  -0.10   0.08     0.01  -0.06  -0.01    -0.00  -0.01   0.04
     5   8    -0.04  -0.03   0.21    -0.01  -0.10  -0.12    -0.02  -0.02  -0.01
     6   6     0.01  -0.00   0.05    -0.03  -0.02  -0.04    -0.04  -0.05  -0.03
     7   8     0.13   0.00  -0.08     0.12  -0.02   0.07    -0.16  -0.09  -0.03
     8   1     0.05  -0.14   0.02    -0.02   0.07  -0.04     0.08  -0.07   0.01
     9   8     0.03   0.02   0.03    -0.01  -0.02   0.01     0.10   0.25   0.00
    10   1    -0.02   0.00   0.06     0.06   0.00  -0.04     0.02  -0.06  -0.02
    11   1     0.06  -0.02   0.04    -0.09  -0.09  -0.05     0.05   0.04   0.03
    12   8    -0.00  -0.07  -0.03     0.01  -0.09   0.03     0.05  -0.04  -0.04
    13   6     0.05  -0.03  -0.08     0.03   0.17   0.17     0.01   0.03   0.04
    14   1    -0.16  -0.15   0.07     0.15  -0.10  -0.01     0.03   0.00   0.04
    15   8    -0.09  -0.00  -0.18    -0.08   0.06   0.05     0.01  -0.07   0.02
    16   1     0.19   0.07   0.05    -0.10  -0.05  -0.04    -0.05  -0.07  -0.03
    17   1     0.18   0.08  -0.16     0.15   0.11   0.09    -0.33  -0.42   0.21
    18   1     0.04  -0.02  -0.12     0.02  -0.04   0.04    -0.18   0.55   0.27
    19   1    -0.05  -0.06  -0.11     0.05  -0.09   0.09     0.13  -0.02  -0.00
    20   8    -0.10   0.29  -0.02    -0.05   0.11  -0.06    -0.04   0.06  -0.02
    21   1     0.21   0.03  -0.30     0.15   0.10   0.52     0.05   0.02   0.09
    22   1     0.09  -0.25  -0.07     0.03   0.54   0.14     0.04   0.08   0.04
    23   1    -0.34  -0.03  -0.15    -0.01   0.08   0.05     0.14  -0.13  -0.01
    24   1    -0.33   0.25   0.05    -0.10   0.12  -0.20    -0.09   0.06  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    248.9065               283.5834               296.9521
 Red. masses --      2.5540                 2.0853                 3.8093
 Frc consts  --      0.0932                 0.0988                 0.1979
 IR Inten    --      0.9732                24.0543                 4.7254
 RamAct Fr= 1--      0.5609                 0.4128                 0.5875
  Dep-P Fr= 1--      0.6651                 0.6812                 0.7068
  Dep-U Fr= 1--      0.7989                 0.8104                 0.8282
 Alpha2 Fr= 1--      0.0008                 0.0005                 0.0004
 Beta2  Fr= 1--      0.0747                 0.0558                 0.0811
 AlphaG Fr= 1--     -0.0005                 0.0004                 0.0011
 Gamma2 Fr= 1--     -0.2081                 0.1682                -0.0055
 Delta2 Fr= 1--     -0.1873                 0.1654                 0.0716
 Raman1 Fr= 1--       2.244                  1.651                  2.350
 ROA1   Fr= 1--     -25.975                 21.440                  1.762
 CID1   Fr= 1--     -11.576                 12.986                  0.750
 Raman2 Fr= 1--       0.896                  0.669                  0.973
 ROA2   Fr= 1--      -3.497                  2.713                 -0.705
 CID2   Fr= 1--      -3.902                  4.055                 -0.724
 Raman3 Fr= 1--       1.793                  1.338                  1.946
 ROA3   Fr= 1--     -25.975                 21.440                  1.762
 CID3   Fr= 1--     -14.490                 16.024                  0.905
 RC180  Fr= 1--       0.598                  0.621                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.05    -0.01   0.08  -0.04    -0.01  -0.01  -0.18
     2   6    -0.08   0.01   0.05    -0.00   0.03  -0.03    -0.02  -0.01  -0.13
     3   6    -0.02  -0.03   0.01    -0.01   0.02  -0.02    -0.01  -0.03  -0.18
     4   6     0.00   0.00  -0.00    -0.05   0.01   0.00     0.01  -0.04  -0.08
     5   8    -0.01   0.02  -0.03    -0.02   0.03   0.04    -0.03   0.12   0.18
     6   6    -0.04   0.00   0.02     0.02   0.02  -0.01     0.00  -0.04  -0.03
     7   8     0.17   0.02  -0.01    -0.01   0.06   0.01     0.09  -0.10   0.06
     8   1    -0.04  -0.09   0.04    -0.02   0.11  -0.03    -0.08   0.13  -0.17
     9   8    -0.02   0.09  -0.06    -0.04  -0.07  -0.01    -0.09   0.07   0.08
    10   1    -0.16   0.01   0.04     0.02   0.05  -0.03     0.13   0.02  -0.12
    11   1     0.01  -0.05   0.02    -0.05   0.03  -0.02    -0.16  -0.13  -0.18
    12   8    -0.11   0.05  -0.00     0.13  -0.12   0.01    -0.00   0.09   0.10
    13   6    -0.01   0.01   0.03    -0.06  -0.00  -0.02     0.00   0.00  -0.01
    14   1     0.03   0.01  -0.00    -0.07  -0.02   0.00    -0.05  -0.25  -0.09
    15   8     0.11  -0.13  -0.00     0.07  -0.03  -0.00     0.04  -0.07  -0.02
    16   1    -0.07   0.07   0.02     0.04   0.03  -0.01     0.14  -0.18  -0.02
    17   1     0.30   0.26  -0.19    -0.05   0.02   0.12    -0.01  -0.10   0.38
    18   1    -0.18   0.28   0.14    -0.04  -0.02   0.26    -0.13   0.14   0.23
    19   1    -0.30   0.03  -0.15     0.38  -0.08   0.18    -0.04   0.02   0.34
    20   8    -0.02  -0.03  -0.01    -0.07   0.03   0.01     0.03  -0.02   0.01
    21   1    -0.01  -0.01   0.09    -0.06   0.01  -0.05     0.03  -0.01   0.06
    22   1    -0.01   0.07   0.03    -0.07  -0.04  -0.01    -0.06   0.07  -0.02
    23   1     0.44  -0.43  -0.10     0.58  -0.48  -0.14    -0.24   0.22   0.07
    24   1     0.01  -0.02  -0.03    -0.13   0.02  -0.01     0.09  -0.02   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    330.3392               337.7996               372.3144
 Red. masses --      1.9277                 5.5535                 1.3552
 Frc consts  --      0.1239                 0.3734                 0.1107
 IR Inten    --     56.4263                 3.4468                80.4127
 RamAct Fr= 1--      0.4703                 4.1767                 1.0577
  Dep-P Fr= 1--      0.1510                 0.3797                 0.5178
  Dep-U Fr= 1--      0.2624                 0.5504                 0.6823
 Alpha2 Fr= 1--      0.0073                 0.0332                 0.0048
 Beta2  Fr= 1--      0.0206                 0.3832                 0.1203
 AlphaG Fr= 1--     -0.0099                -0.0105                 0.0034
 Gamma2 Fr= 1--      0.1782                 0.0715                 0.0311
 Delta2 Fr= 1--      0.1922                 0.2439                 0.2025
 Raman1 Fr= 1--       1.881                 16.707                  4.231
 ROA1   Fr= 1--      23.257                 14.668                  9.466
 CID1   Fr= 1--      12.362                  0.878                  2.237
 Raman2 Fr= 1--       0.247                  4.598                  1.443
 ROA2   Fr= 1--       2.740                 -0.235                 -0.874
 CID2   Fr= 1--      11.101                 -0.051                 -0.606
 Raman3 Fr= 1--       0.494                  9.196                  2.887
 ROA3   Fr= 1--      23.257                 14.668                  9.466
 CID3   Fr= 1--      47.118                  1.595                  3.279
 RC180  Fr= 1--      -0.475                  0.101                  0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.03    -0.11  -0.02   0.04    -0.01  -0.01   0.03
     2   6     0.04   0.01  -0.02    -0.17   0.05   0.07    -0.01   0.01   0.07
     3   6     0.00  -0.01  -0.01    -0.07  -0.09  -0.01    -0.01  -0.02  -0.01
     4   6     0.03  -0.04   0.02     0.05  -0.02  -0.04    -0.01   0.00  -0.04
     5   8    -0.00  -0.03   0.03     0.00   0.02   0.04     0.01  -0.00  -0.02
     6   6     0.02   0.03  -0.01    -0.06   0.07   0.07     0.00   0.02   0.05
     7   8     0.01  -0.03  -0.00    -0.06   0.02  -0.03     0.06   0.04  -0.06
     8   1     0.03   0.00  -0.03    -0.15  -0.07   0.03    -0.06  -0.07   0.02
     9   8     0.03  -0.06  -0.03    -0.14   0.05  -0.06     0.02  -0.00  -0.03
    10   1     0.05   0.01  -0.02    -0.27   0.10   0.06    -0.08   0.03   0.07
    11   1    -0.01  -0.00  -0.01    -0.06  -0.14  -0.01     0.02  -0.05  -0.01
    12   8    -0.08   0.09   0.01     0.00  -0.19   0.00    -0.02   0.00   0.00
    13   6     0.04  -0.04   0.01     0.22   0.08  -0.07    -0.03   0.01   0.00
    14   1     0.02  -0.07   0.03    -0.02  -0.03  -0.04    -0.01  -0.01  -0.04
    15   8    -0.10   0.14   0.00    -0.07   0.04  -0.03     0.03  -0.02  -0.01
    16   1     0.06   0.04  -0.01    -0.03   0.16   0.07    -0.03   0.09   0.05
    17   1    -0.16  -0.23   0.35    -0.11  -0.04   0.07    -0.30  -0.37   0.73
    18   1    -0.04   0.09   0.40    -0.23   0.17   0.13     0.08  -0.12  -0.32
    19   1    -0.26   0.06  -0.12     0.19  -0.16   0.13     0.05  -0.01   0.15
    20   8     0.01  -0.01  -0.01     0.35   0.02   0.02    -0.02  -0.01   0.01
    21   1     0.05  -0.04  -0.03     0.24   0.08  -0.05    -0.03   0.00   0.05
    22   1     0.07  -0.07   0.01     0.19   0.10  -0.08    -0.07   0.06  -0.00
    23   1     0.48  -0.43  -0.17     0.03  -0.18  -0.08    -0.10   0.03   0.02
    24   1     0.02  -0.01   0.04     0.37   0.02  -0.01    -0.03  -0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    393.1700               398.2934               404.0285
 Red. masses --      2.8965                 1.4087                 1.2721
 Frc consts  --      0.2638                 0.1317                 0.1224
 IR Inten    --      0.9543                80.3503               176.2038
 RamAct Fr= 1--      0.5953                 0.9601                 0.9998
  Dep-P Fr= 1--      0.6238                 0.7227                 0.5562
  Dep-U Fr= 1--      0.7684                 0.8390                 0.7148
 Alpha2 Fr= 1--      0.0014                 0.0005                 0.0037
 Beta2  Fr= 1--      0.0762                 0.1343                 0.1191
 AlphaG Fr= 1--      0.0036                 0.0008                 0.0022
 Gamma2 Fr= 1--      0.6424                -0.5085                -0.3121
 Delta2 Fr= 1--      0.2623                -0.5561                -0.2842
 Raman1 Fr= 1--       2.381                  3.840                  3.999
 ROA1   Fr= 1--      70.061                -66.610                -39.055
 CID1   Fr= 1--      29.421                -17.344                 -9.766
 Raman2 Fr= 1--       0.915                  1.611                  1.429
 ROA2   Fr= 1--      13.318                 -7.755                 -5.217
 CID2   Fr= 1--      14.558                 -4.813                 -3.650
 Raman3 Fr= 1--       1.830                  3.222                  2.859
 ROA3   Fr= 1--      70.061                -66.610                -39.055
 CID3   Fr= 1--      38.291                -20.671                -13.661
 RC180  Fr= 1--       0.537                  0.678                  0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.02     0.02  -0.05   0.01    -0.01   0.02   0.02
     2   6     0.06  -0.01   0.14    -0.03   0.00   0.00     0.00  -0.01  -0.00
     3   6     0.01  -0.00  -0.13     0.04  -0.00   0.01    -0.02   0.01   0.03
     4   6    -0.05  -0.02  -0.16     0.05  -0.01   0.03     0.00   0.01   0.03
     5   8     0.02  -0.04   0.04    -0.02   0.04  -0.02     0.03  -0.03  -0.02
     6   6    -0.01  -0.01   0.13    -0.03   0.03  -0.01     0.02  -0.02  -0.00
     7   8    -0.06  -0.01   0.01    -0.01  -0.06  -0.01     0.03   0.05  -0.02
     8   1    -0.15  -0.03   0.01     0.05  -0.07   0.01     0.02   0.00   0.02
     9   8     0.15  -0.02  -0.04    -0.03   0.01   0.01     0.01  -0.05  -0.04
    10   1    -0.00   0.09   0.14    -0.03  -0.01   0.00    -0.01  -0.00  -0.00
    11   1     0.04  -0.16  -0.13     0.08   0.02   0.00     0.01   0.04   0.03
    12   8     0.03   0.07   0.04    -0.02   0.06  -0.05    -0.05   0.01  -0.04
    13   6    -0.08   0.09  -0.03     0.04  -0.04   0.03     0.00  -0.02   0.00
    14   1    -0.13  -0.14  -0.17     0.09  -0.02   0.03     0.02   0.05   0.03
    15   8    -0.09  -0.02  -0.05    -0.02   0.02   0.02     0.01  -0.01  -0.02
    16   1    -0.01   0.11   0.12    -0.05   0.03  -0.01     0.01  -0.01  -0.00
    17   1     0.12   0.16  -0.41     0.06   0.01  -0.17     0.00   0.03   0.05
    18   1     0.04   0.12   0.10     0.08  -0.16  -0.32    -0.20   0.28   0.64
    19   1     0.10   0.01   0.37     0.33  -0.02   0.76     0.21  -0.02   0.46
    20   8     0.01  -0.02   0.03    -0.01   0.01  -0.01    -0.01  -0.01  -0.00
    21   1    -0.04   0.04   0.17     0.05  -0.04   0.01    -0.02  -0.01  -0.04
    22   1    -0.23   0.27  -0.04     0.07  -0.05   0.03     0.03  -0.06   0.01
    23   1    -0.07  -0.30  -0.10     0.21  -0.14  -0.04    -0.30   0.27   0.07
    24   1     0.10  -0.01   0.03    -0.09   0.00  -0.06    -0.06  -0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.9287               446.3458               478.9638
 Red. masses --      5.0904                 3.3305                 4.6820
 Frc consts  --      0.5314                 0.3909                 0.6328
 IR Inten    --      7.6571                21.1170                 4.8787
 RamAct Fr= 1--      5.1999                 3.3350                 9.4298
  Dep-P Fr= 1--      0.4341                 0.3042                 0.0718
  Dep-U Fr= 1--      0.6054                 0.4665                 0.1340
 Alpha2 Fr= 1--      0.0339                 0.0338                 0.1768
 Beta2  Fr= 1--      0.5247                 0.2593                 0.2105
 AlphaG Fr= 1--      0.0010                 0.0067                -0.0140
 Gamma2 Fr= 1--      0.5599                -0.5843                -0.1423
 Delta2 Fr= 1--      0.1493                -0.1814                -0.2302
 Raman1 Fr= 1--      20.799                 13.340                 37.719
 ROA1   Fr= 1--      58.532                -61.900                -21.031
 CID1   Fr= 1--       2.814                 -4.640                 -0.558
 Raman2 Fr= 1--       6.296                  3.112                  2.527
 ROA2   Fr= 1--      12.244                -12.573                 -1.574
 CID2   Fr= 1--       1.945                 -4.041                 -0.623
 Raman3 Fr= 1--      12.593                  6.223                  5.053
 ROA3   Fr= 1--      58.532                -61.900                -21.031
 CID3   Fr= 1--       4.648                 -9.947                 -4.162
 RC180  Fr= 1--       0.211                 -0.067                 -0.732
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.05     0.00  -0.10   0.04    -0.04   0.13  -0.03
     2   6    -0.06  -0.09   0.01    -0.07   0.03   0.09    -0.05   0.08   0.04
     3   6     0.15   0.12   0.07     0.08  -0.07  -0.04     0.07   0.04  -0.13
     4   6    -0.00   0.13   0.02     0.07  -0.04  -0.07     0.10  -0.17   0.04
     5   8    -0.09   0.11  -0.04     0.01   0.14  -0.04    -0.00  -0.15  -0.06
     6   6    -0.17  -0.08  -0.01     0.01   0.16   0.04    -0.06  -0.02   0.08
     7   8     0.11  -0.06  -0.03    -0.06  -0.12  -0.01    -0.09   0.16   0.04
     8   1     0.11  -0.13   0.05    -0.05  -0.16   0.03    -0.17   0.19  -0.03
     9   8    -0.07  -0.12  -0.04    -0.05  -0.07  -0.06    -0.08   0.02  -0.03
    10   1    -0.10  -0.10   0.00    -0.14   0.10   0.09    -0.08   0.21   0.04
    11   1     0.21   0.20   0.06     0.12  -0.16  -0.04     0.03   0.05  -0.13
    12   8     0.21   0.11  -0.01     0.07  -0.02   0.04     0.12   0.15   0.03
    13   6    -0.00   0.08  -0.00    -0.01  -0.05   0.06     0.14  -0.17   0.10
    14   1    -0.00   0.21   0.03     0.15  -0.09  -0.07     0.25  -0.29   0.04
    15   8    -0.20  -0.12  -0.00     0.12   0.10  -0.02    -0.01  -0.13  -0.02
    16   1    -0.25  -0.10  -0.01    -0.03   0.29   0.03    -0.13   0.06   0.08
    17   1     0.01  -0.16   0.22    -0.02  -0.14  -0.15    -0.12   0.09   0.05
    18   1    -0.14   0.02   0.33    -0.15   0.12   0.39    -0.05  -0.01  -0.04
    19   1     0.11   0.15  -0.28    -0.14  -0.00  -0.31    -0.11   0.12  -0.16
    20   8     0.05   0.02  -0.01    -0.11   0.02  -0.01    -0.04   0.03  -0.05
    21   1    -0.04   0.07   0.01     0.05  -0.07   0.14     0.26  -0.15   0.04
    22   1     0.01   0.10  -0.01    -0.05   0.04   0.05     0.25  -0.19   0.10
    23   1    -0.20  -0.16  -0.01    -0.14   0.34   0.05    -0.20  -0.07   0.02
    24   1     0.17   0.03   0.08    -0.23   0.01  -0.12    -0.04   0.01   0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    500.6743               551.3522               598.3011
 Red. masses --      1.1298                 3.0665                 5.0855
 Frc consts  --      0.1669                 0.5492                 1.0726
 IR Inten    --    134.8776                32.3786                 2.8241
 RamAct Fr= 1--      0.9738                 0.7123                 0.7081
  Dep-P Fr= 1--      0.4713                 0.1891                 0.2371
  Dep-U Fr= 1--      0.6407                 0.3180                 0.3833
 Alpha2 Fr= 1--      0.0055                 0.0100                 0.0087
 Beta2  Fr= 1--      0.1040                 0.0378                 0.0452
 AlphaG Fr= 1--      0.0023                 0.0059                 0.0111
 Gamma2 Fr= 1--     -0.6728                -0.0219                -0.1027
 Delta2 Fr= 1--     -0.5969                 0.0432                -0.0926
 Raman1 Fr= 1--       3.895                  2.849                  2.832
 ROA1   Fr= 1--     -83.693                 -0.716                -12.825
 CID1   Fr= 1--     -21.486                 -0.251                 -4.528
 Raman2 Fr= 1--       1.248                  0.453                  0.543
 ROA2   Fr= 1--     -11.373                 -0.871                 -1.725
 CID2   Fr= 1--      -9.115                 -1.922                 -3.177
 Raman3 Fr= 1--       2.496                  0.906                  1.086
 ROA3   Fr= 1--     -83.693                 -0.716                -12.825
 CID3   Fr= 1--     -33.536                 -0.790                -11.814
 RC180  Fr= 1--       0.281                 -0.364                 -0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.05   0.02   0.20    -0.13  -0.07   0.07
     2   6    -0.00   0.00   0.01    -0.01  -0.06  -0.08    -0.14  -0.11   0.00
     3   6    -0.01  -0.01  -0.00     0.11  -0.09   0.04     0.00   0.06  -0.04
     4   6    -0.00   0.01   0.01    -0.01  -0.11  -0.13     0.07   0.08  -0.03
     5   8     0.00   0.00  -0.01    -0.05   0.03   0.07     0.25  -0.13   0.03
     6   6     0.01   0.02   0.00     0.02  -0.05  -0.14     0.19  -0.11   0.02
     7   8     0.01  -0.02  -0.00    -0.05   0.16  -0.04     0.04  -0.03  -0.03
     8   1    -0.01  -0.03  -0.00     0.18   0.01   0.20    -0.27  -0.16   0.05
     9   8     0.00  -0.00  -0.00    -0.05  -0.01   0.02    -0.17   0.12  -0.01
    10   1    -0.01   0.00   0.01    -0.07  -0.34  -0.09    -0.29  -0.28  -0.02
    11   1    -0.01   0.01   0.00     0.35  -0.31   0.03     0.03   0.09  -0.04
    12   8    -0.01  -0.03  -0.02    -0.01   0.03  -0.01     0.13   0.05   0.01
    13   6    -0.01   0.02   0.01    -0.01   0.02  -0.01    -0.07   0.02  -0.02
    14   1     0.03   0.02   0.02    -0.10  -0.20  -0.13     0.04   0.08  -0.03
    15   8     0.02   0.01  -0.00     0.01   0.03   0.03    -0.07   0.14   0.01
    16   1     0.00   0.03   0.00     0.10  -0.20  -0.13     0.34  -0.17   0.02
    17   1     0.01  -0.01  -0.00    -0.10  -0.05  -0.08     0.06   0.08   0.04
    18   1    -0.00   0.01   0.01    -0.03  -0.02   0.03    -0.27   0.18  -0.16
    19   1     0.03  -0.04   0.07    -0.11  -0.02   0.06     0.16   0.07  -0.04
    20   8    -0.04   0.01  -0.05     0.00   0.00   0.00    -0.09  -0.03   0.01
    21   1    -0.00   0.02   0.01     0.13  -0.03   0.25    -0.16   0.02  -0.06
    22   1     0.03   0.02   0.01    -0.15   0.26  -0.02    -0.12  -0.04  -0.01
    23   1     0.00   0.03   0.00     0.16   0.13   0.03     0.09  -0.14  -0.06
    24   1     0.45   0.02   0.88     0.09   0.01   0.13    -0.08  -0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    619.9599               665.9491               899.6210
 Red. masses --      3.4356                 4.9112                 1.7753
 Frc consts  --      0.7780                 1.2833                 0.8465
 IR Inten    --      7.7947                19.4019                 8.6701
 RamAct Fr= 1--      0.1587                 0.3909                 2.0648
  Dep-P Fr= 1--      0.6862                 0.6173                 0.2636
  Dep-U Fr= 1--      0.8139                 0.7634                 0.4172
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0236
 Beta2  Fr= 1--      0.0215                 0.0497                 0.1436
 AlphaG Fr= 1--      0.0009                 0.0017                 0.0004
 Gamma2 Fr= 1--      0.0752                -0.2423                 0.2920
 Delta2 Fr= 1--      0.0449                -0.1092                 0.2432
 Raman1 Fr= 1--       0.635                  1.564                  8.259
 ROA1   Fr= 1--       8.653                -26.760                 35.814
 CID1   Fr= 1--      13.630                -17.112                  4.336
 Raman2 Fr= 1--       0.258                  0.597                  1.723
 ROA2   Fr= 1--       1.444                 -4.942                  5.063
 CID2   Fr= 1--       5.589                 -8.280                  2.939
 Raman3 Fr= 1--       0.517                  1.194                  3.446
 ROA3   Fr= 1--       8.653                -26.760                 35.814
 CID3   Fr= 1--      16.746                -22.416                 10.394
 RC180  Fr= 1--       0.628                  0.527                 -0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.05   0.05  -0.02    -0.06   0.01  -0.03
     2   6    -0.00  -0.17   0.08     0.03   0.04  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.03  -0.13     0.01  -0.08   0.04    -0.05   0.09   0.12
     4   6     0.05   0.02   0.03     0.19   0.10  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.15  -0.00     0.19   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.02  -0.03  -0.13     0.04  -0.07   0.11     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.04   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.52  -0.08   0.03     0.22   0.15  -0.00     0.01  -0.02  -0.03
     9   8     0.17  -0.02   0.00    -0.01   0.01   0.02     0.02   0.00   0.01
    10   1    -0.03  -0.45   0.07     0.09   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.19   0.04  -0.12     0.02  -0.25   0.04    -0.09   0.19   0.12
    12   8     0.02  -0.04   0.04    -0.12  -0.13  -0.00     0.00   0.01  -0.01
    13   6     0.08  -0.08   0.06     0.03  -0.06   0.06     0.07  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.36   0.16  -0.10    -0.25   0.16  -0.09
    15   8    -0.03   0.03   0.03    -0.19  -0.10  -0.01     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.12     0.00  -0.20   0.11     0.04  -0.01   0.03
    17   1     0.03   0.19   0.07    -0.05  -0.01  -0.04     0.04   0.12   0.08
    18   1    -0.02   0.13  -0.10     0.05  -0.04   0.04    -0.02   0.03  -0.01
    19   1     0.07  -0.01  -0.04    -0.07  -0.11  -0.04     0.21   0.10  -0.10
    20   8    -0.00   0.01  -0.02    -0.10  -0.01  -0.01     0.01   0.01   0.00
    21   1     0.04  -0.05  -0.09    -0.02  -0.06   0.04     0.33  -0.24   0.50
    22   1     0.18  -0.19   0.06    -0.01  -0.07   0.06    -0.14   0.40  -0.08
    23   1     0.10   0.14   0.03    -0.26  -0.43  -0.05    -0.04  -0.05  -0.01
    24   1    -0.09  -0.00   0.02    -0.15  -0.02   0.09    -0.20  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    997.7057              1010.3726              1023.4088
 Red. masses --      3.9671                 3.8869                 3.7461
 Frc consts  --      2.3266                 2.3379                 2.3117
 IR Inten    --    129.1611                41.2653                19.3072
 RamAct Fr= 1--      0.1206                 1.8515                 0.9526
  Dep-P Fr= 1--      0.7071                 0.4040                 0.6046
  Dep-U Fr= 1--      0.8284                 0.5755                 0.7536
 Alpha2 Fr= 1--      0.0001                 0.0135                 0.0026
 Beta2  Fr= 1--      0.0167                 0.1776                 0.1196
 AlphaG Fr= 1--      0.0000                 0.0169                -0.0083
 Gamma2 Fr= 1--     -0.3136                 0.1752                 0.2006
 Delta2 Fr= 1--     -0.2985                 0.2479                 0.1307
 Raman1 Fr= 1--       0.483                  7.406                  3.810
 ROA1   Fr= 1--     -39.654                 24.752                 23.435
 CID1   Fr= 1--     -82.183                  3.342                  6.150
 Raman2 Fr= 1--       0.200                  2.131                  1.436
 ROA2   Fr= 1--      -5.137                  2.221                  3.768
 CID2   Fr= 1--     -25.705                  1.042                  2.625
 Raman3 Fr= 1--       0.400                  4.262                  2.871
 ROA3   Fr= 1--     -39.654                 24.752                 23.435
 CID3   Fr= 1--     -99.205                  5.808                  8.161
 RC180  Fr= 1--       0.657                  0.151                  0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.09   0.16    -0.10  -0.06  -0.17     0.24   0.01  -0.09
     2   6     0.07   0.23   0.09    -0.08   0.04   0.05     0.05  -0.16   0.17
     3   6    -0.07   0.11  -0.04     0.10  -0.11   0.13     0.05   0.15  -0.09
     4   6     0.06   0.04  -0.08     0.18   0.02   0.02     0.03   0.04  -0.01
     5   8     0.04  -0.06   0.09     0.08  -0.07   0.10     0.05  -0.04   0.05
     6   6    -0.00   0.01  -0.21    -0.15   0.06  -0.14    -0.11  -0.02  -0.05
     7   8     0.03  -0.14  -0.06    -0.04   0.06   0.03    -0.00   0.07   0.06
     8   1    -0.15  -0.10   0.13    -0.13  -0.04  -0.16     0.11   0.07  -0.08
     9   8    -0.03   0.01  -0.04     0.08  -0.03   0.02    -0.11   0.00  -0.05
    10   1    -0.06   0.12   0.08     0.09   0.16   0.07    -0.00  -0.18   0.15
    11   1    -0.02  -0.01  -0.04     0.04   0.01   0.13    -0.25   0.24  -0.08
    12   8    -0.04  -0.03   0.03     0.03   0.02  -0.03    -0.12  -0.09   0.05
    13   6     0.04  -0.02   0.02    -0.01   0.06  -0.13     0.01  -0.04  -0.03
    14   1     0.07  -0.11  -0.08     0.06   0.24   0.03    -0.05   0.03  -0.01
    15   8    -0.08  -0.12   0.03    -0.03  -0.04   0.00     0.02   0.04  -0.01
    16   1     0.07  -0.03  -0.20    -0.11   0.17  -0.13    -0.12   0.19  -0.05
    17   1     0.04  -0.13  -0.06    -0.01   0.32   0.20    -0.05  -0.37  -0.25
    18   1     0.36  -0.28   0.24    -0.04   0.06  -0.07    -0.29   0.14  -0.18
    19   1     0.27   0.11  -0.15    -0.15  -0.06   0.07     0.11   0.01  -0.05
    20   8    -0.02  -0.01   0.00    -0.07  -0.03   0.04    -0.00   0.00   0.01
    21   1    -0.01  -0.02  -0.01    -0.02   0.01   0.11     0.02  -0.08   0.16
    22   1     0.01  -0.04   0.02    -0.20   0.25  -0.13    -0.06   0.16  -0.05
    23   1     0.28   0.35   0.06     0.31   0.35   0.03     0.18   0.20  -0.01
    24   1    -0.08  -0.02   0.04     0.02  -0.02  -0.00    -0.11  -0.02   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1049.4672              1079.6879              1090.3917
 Red. masses --      3.1765                 4.5624                 4.2117
 Frc consts  --      2.0613                 3.1336                 2.9504
 IR Inten    --     30.8342                 7.9353               209.5780
 RamAct Fr= 1--      1.4373                 1.9195                 5.1189
  Dep-P Fr= 1--      0.5498                 0.4015                 0.3930
  Dep-U Fr= 1--      0.7095                 0.5729                 0.5642
 Alpha2 Fr= 1--      0.0055                 0.0141                 0.0389
 Beta2  Fr= 1--      0.1700                 0.1833                 0.4814
 AlphaG Fr= 1--     -0.0172                -0.0084                 0.0300
 Gamma2 Fr= 1--      1.7284                -0.8661                 1.4060
 Delta2 Fr= 1--      1.4440                -0.2902                 0.4478
 Raman1 Fr= 1--       5.749                  7.678                 20.476
 ROA1   Fr= 1--     212.139                -92.434                149.302
 CID1   Fr= 1--      36.900                -12.039                  7.292
 Raman2 Fr= 1--       2.040                  2.199                  5.777
 ROA2   Fr= 1--      29.930                -18.465                 30.160
 CID2   Fr= 1--      14.674                 -8.396                  5.221
 Raman3 Fr= 1--       4.079                  4.399                 11.553
 ROA3   Fr= 1--     212.139                -92.434                149.302
 CID3   Fr= 1--      52.005                -21.013                 12.923
 RC180  Fr= 1--       0.419                  0.146                  0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.08   0.07   0.02     0.06   0.12  -0.05
     2   6     0.06   0.09   0.12    -0.04  -0.03   0.03    -0.14  -0.01   0.07
     3   6     0.11  -0.07  -0.06    -0.17  -0.05   0.01    -0.11  -0.06   0.07
     4   6    -0.12  -0.06   0.18    -0.12  -0.15   0.05    -0.10  -0.11  -0.00
     5   8     0.04   0.11  -0.08     0.13   0.10  -0.04     0.17   0.06   0.00
     6   6     0.15  -0.05  -0.08    -0.03   0.04  -0.03    -0.03   0.03  -0.08
     7   8    -0.02   0.02   0.02     0.02  -0.02  -0.00     0.01  -0.04  -0.01
     8   1    -0.37  -0.11  -0.05     0.24   0.11   0.03     0.41   0.16  -0.04
     9   8    -0.06   0.03  -0.05     0.01  -0.02   0.01     0.06  -0.04   0.03
    10   1     0.01   0.09   0.11    -0.08  -0.11   0.02    -0.10   0.02   0.08
    11   1    -0.01   0.20  -0.05    -0.24   0.05   0.00    -0.10  -0.14   0.06
    12   8     0.01  -0.01   0.00     0.06   0.07  -0.03     0.05   0.06  -0.04
    13   6    -0.05  -0.04  -0.08     0.24   0.16  -0.11    -0.20  -0.09   0.12
    14   1    -0.25   0.15   0.17    -0.24  -0.12   0.03     0.12  -0.21   0.00
    15   8    -0.07  -0.05   0.03    -0.03  -0.02   0.01    -0.06  -0.03   0.01
    16   1     0.20  -0.12  -0.08     0.00   0.06  -0.03     0.13   0.12  -0.07
    17   1    -0.03  -0.03  -0.02    -0.01  -0.23  -0.13     0.00  -0.08  -0.03
    18   1     0.12  -0.11   0.10    -0.12   0.08  -0.09    -0.27   0.21  -0.21
    19   1    -0.38  -0.18   0.20     0.05   0.06  -0.03     0.06   0.07  -0.05
    20   8     0.04   0.02   0.01    -0.18  -0.13   0.11     0.16   0.09  -0.10
    21   1     0.05  -0.10   0.25     0.43   0.18  -0.18    -0.25  -0.06  -0.02
    22   1    -0.04   0.29  -0.10     0.24  -0.05  -0.07    -0.13  -0.17   0.11
    23   1     0.02   0.03   0.03     0.02   0.02   0.01     0.21   0.21   0.02
    24   1    -0.03   0.01   0.03     0.21  -0.06  -0.13    -0.05   0.05   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1099.2875              1104.1177              1114.2679
 Red. masses --      3.2079                 3.5397                 2.5867
 Frc consts  --      2.2840                 2.5424                 1.8922
 IR Inten    --    190.0371                94.1782                66.7533
 RamAct Fr= 1--      5.1669                 1.7771                 7.2139
  Dep-P Fr= 1--      0.1518                 0.5206                 0.7048
  Dep-U Fr= 1--      0.2636                 0.6847                 0.8269
 Alpha2 Fr= 1--      0.0795                 0.0079                 0.0057
 Beta2  Fr= 1--      0.2270                 0.2028                 0.9942
 AlphaG Fr= 1--     -0.0245                 0.0168                -0.0004
 Gamma2 Fr= 1--     -1.2186                -1.1079                 2.1875
 Delta2 Fr= 1--     -0.7686                -0.5914                 0.5280
 Raman1 Fr= 1--      20.667                  7.109                 28.856
 ROA1   Fr= 1--    -141.585               -125.278                226.900
 CID1   Fr= 1--      -6.851                -17.624                  7.863
 Raman2 Fr= 1--       2.724                  2.434                 11.930
 ROA2   Fr= 1--     -23.098                -21.857                 48.276
 CID2   Fr= 1--      -8.481                 -8.982                  4.047
 Raman3 Fr= 1--       5.447                  4.867                 23.860
 ROA3   Fr= 1--    -141.585               -125.278                226.900
 CID3   Fr= 1--     -25.992                -25.740                  9.510
 RC180  Fr= 1--      -0.473                  0.369                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.14    -0.08   0.14   0.03    -0.04   0.23   0.00
     2   6     0.06  -0.05   0.18     0.02  -0.06  -0.07     0.01  -0.06   0.04
     3   6     0.03   0.02   0.15     0.19   0.16   0.01     0.08  -0.09  -0.03
     4   6     0.03  -0.04  -0.12     0.03  -0.18   0.07    -0.06   0.16   0.00
     5   8    -0.14   0.02  -0.02     0.07   0.03  -0.03    -0.01  -0.04   0.02
     6   6     0.18  -0.07  -0.03    -0.03   0.13   0.04    -0.02  -0.00   0.01
     7   8    -0.01  -0.01   0.01     0.01  -0.09  -0.06     0.01  -0.11  -0.06
     8   1     0.10  -0.05  -0.14    -0.17   0.14   0.01    -0.03   0.31  -0.00
     9   8    -0.07   0.02  -0.05     0.01  -0.00   0.01    -0.01  -0.02  -0.00
    10   1     0.17   0.12   0.18     0.01  -0.30  -0.08     0.04  -0.14   0.04
    11   1     0.08  -0.12   0.15     0.26   0.22   0.03     0.27  -0.28  -0.03
    12   8    -0.01   0.00  -0.02    -0.11  -0.08   0.06     0.01  -0.01  -0.01
    13   6     0.02   0.07   0.08    -0.09   0.06  -0.07     0.09  -0.04   0.03
    14   1     0.07  -0.14  -0.11     0.14  -0.39   0.07    -0.25   0.32   0.00
    15   8    -0.03  -0.01   0.02    -0.02  -0.04   0.02     0.01   0.01  -0.00
    16   1     0.21   0.05  -0.04    -0.07   0.11   0.04    -0.01   0.05   0.01
    17   1     0.03   0.25   0.14     0.05   0.32   0.20     0.03   0.09   0.07
    18   1    -0.20   0.12  -0.11    -0.11   0.08  -0.07    -0.24   0.16  -0.16
    19   1     0.10   0.04  -0.04     0.09   0.00  -0.04    -0.40  -0.19   0.16
    20   8    -0.03  -0.02  -0.01    -0.00  -0.00   0.01    -0.02  -0.01   0.01
    21   1     0.19   0.17  -0.30     0.11   0.08  -0.07    -0.03  -0.07   0.10
    22   1    -0.04  -0.34   0.11    -0.15   0.01  -0.06     0.17   0.05   0.03
    23   1     0.08   0.12   0.02    -0.10  -0.11   0.01     0.04   0.04  -0.00
    24   1     0.28   0.03  -0.17     0.25   0.04  -0.11    -0.16  -0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1119.1060              1136.1901              1160.7147
 Red. masses --      3.7895                 3.3513                 2.9776
 Frc consts  --      2.7963                 2.5490                 2.3636
 IR Inten    --    130.4360                 8.2614                39.5947
 RamAct Fr= 1--      6.3003                 4.5023                 3.7475
  Dep-P Fr= 1--      0.5245                 0.7275                 0.5053
  Dep-U Fr= 1--      0.6881                 0.8422                 0.6714
 Alpha2 Fr= 1--      0.0276                 0.0017                 0.0180
 Beta2  Fr= 1--      0.7226                 0.6320                 0.4193
 AlphaG Fr= 1--     -0.0234                -0.0002                -0.0123
 Gamma2 Fr= 1--      1.4614                -0.6451                -0.2129
 Delta2 Fr= 1--      1.0745                -0.3759                 0.3447
 Raman1 Fr= 1--      25.201                 18.009                 14.990
 ROA1   Fr= 1--     174.680                -73.962                 -9.411
 CID1   Fr= 1--       6.931                 -4.107                 -0.628
 Raman2 Fr= 1--       8.671                  7.584                  5.032
 ROA2   Fr= 1--      26.478                -12.476                 -7.868
 CID2   Fr= 1--       3.054                 -1.645                 -1.564
 Raman3 Fr= 1--      17.342                 15.168                 10.064
 ROA3   Fr= 1--     174.680                -73.962                 -9.411
 CID3   Fr= 1--      10.073                 -4.876                 -0.935
 RC180  Fr= 1--       0.376                  0.684                  0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.01    -0.02   0.09   0.05    -0.02  -0.12   0.00
     2   6    -0.21  -0.01  -0.05     0.20  -0.10   0.02     0.12  -0.09  -0.09
     3   6     0.00   0.02  -0.07    -0.16  -0.13   0.06    -0.00  -0.00  -0.01
     4   6     0.12   0.06   0.03     0.16  -0.04   0.06    -0.10   0.05  -0.05
     5   8    -0.15  -0.05  -0.03    -0.06   0.01   0.01     0.06  -0.03   0.02
     6   6     0.25   0.14   0.02     0.02   0.09   0.03     0.02   0.23   0.02
     7   8     0.01   0.01   0.01     0.02  -0.03  -0.02    -0.01   0.06   0.02
     8   1     0.19   0.17   0.00    -0.12   0.11   0.05    -0.04  -0.16   0.00
     9   8     0.09  -0.04   0.07    -0.10   0.04  -0.06    -0.05   0.03  -0.02
    10   1    -0.31  -0.09  -0.05     0.24  -0.35   0.00     0.20  -0.19  -0.10
    11   1    -0.10   0.09  -0.06    -0.31  -0.07   0.05     0.04  -0.04  -0.01
    12   8    -0.02  -0.02   0.01     0.07   0.07  -0.05     0.02   0.00  -0.00
    13   6     0.00   0.00  -0.08    -0.08   0.01  -0.11     0.04  -0.03   0.10
    14   1     0.07   0.02   0.04     0.37  -0.00   0.07    -0.37   0.12  -0.06
    15   8    -0.09  -0.11   0.05    -0.01  -0.03   0.02    -0.08  -0.12   0.03
    16   1     0.42   0.24   0.01    -0.15   0.15   0.04     0.13   0.56   0.03
    17   1    -0.03  -0.34  -0.20     0.01  -0.12  -0.10    -0.00   0.16   0.09
    18   1    -0.16   0.15  -0.08    -0.03  -0.02   0.00     0.05  -0.05   0.05
    19   1     0.01  -0.00  -0.01     0.03   0.05  -0.03    -0.07  -0.03   0.04
    20   8    -0.01  -0.00   0.02     0.02   0.01   0.01     0.01   0.01  -0.02
    21   1    -0.10  -0.05   0.12    -0.29  -0.06   0.13     0.11   0.01  -0.07
    22   1    -0.00   0.22  -0.10    -0.06   0.27  -0.14    -0.03  -0.20   0.12
    23   1     0.09   0.15   0.07    -0.15  -0.13   0.02     0.19   0.24   0.06
    24   1    -0.07  -0.01   0.04    -0.13  -0.01   0.09     0.01   0.01  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1189.1415              1228.3300              1249.4276
 Red. masses --      1.1651                 1.2601                 1.1551
 Frc consts  --      0.9707                 1.1202                 1.0625
 IR Inten    --     12.2110                 3.9138                10.5409
 RamAct Fr= 1--      2.2948                 1.9393                 4.1001
  Dep-P Fr= 1--      0.7471                 0.4180                 0.7500
  Dep-U Fr= 1--      0.8553                 0.5895                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0135                 0.0000
 Beta2  Fr= 1--      0.3271                 0.1905                 0.5857
 AlphaG Fr= 1--     -0.0006                 0.0030                -0.0000
 Gamma2 Fr= 1--     -2.0335                 1.1116                 0.0838
 Delta2 Fr= 1--     -1.2657                 0.9080                 0.0494
 Raman1 Fr= 1--       9.179                  7.757                 16.400
 ROA1   Fr= 1--    -235.720                135.771                  9.626
 CID1   Fr= 1--     -25.680                 17.502                  0.587
 Raman2 Fr= 1--       3.925                  2.287                  7.029
 ROA2   Fr= 1--     -38.679                 19.414                  1.616
 CID2   Fr= 1--      -9.854                  8.490                  0.230
 Raman3 Fr= 1--       7.851                  4.573                 14.058
 ROA3   Fr= 1--    -235.720                135.771                  9.626
 CID3   Fr= 1--     -30.025                 29.688                  0.685
 RC180  Fr= 1--       0.711                  0.179                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.01    -0.05  -0.02   0.09     0.01   0.00   0.02
     2   6     0.02  -0.02   0.01     0.03  -0.03  -0.03    -0.00  -0.01   0.03
     3   6    -0.01   0.03  -0.03    -0.02  -0.00  -0.04    -0.05   0.01  -0.06
     4   6    -0.03   0.01   0.04     0.03  -0.00   0.03     0.03   0.01   0.00
     5   8     0.00   0.01  -0.02    -0.01   0.01  -0.00    -0.01  -0.00   0.01
     6   6     0.02  -0.02  -0.00    -0.00  -0.05   0.01     0.01  -0.01  -0.00
     7   8    -0.01   0.01  -0.00     0.02  -0.00  -0.02    -0.03  -0.01  -0.01
     8   1     0.33  -0.08   0.01     0.05   0.22   0.11     0.62  -0.11   0.02
     9   8    -0.01   0.00  -0.01    -0.01  -0.02   0.01    -0.00   0.02  -0.01
    10   1     0.17   0.26   0.03     0.34   0.58   0.01    -0.10  -0.12   0.02
    11   1     0.26  -0.26  -0.03     0.06   0.17  -0.03    -0.01   0.33  -0.06
    12   8    -0.01  -0.00   0.01     0.01  -0.00   0.01     0.03  -0.02   0.00
    13   6     0.02   0.01  -0.05    -0.02  -0.01  -0.01    -0.01  -0.02  -0.01
    14   1     0.07  -0.30   0.03     0.02   0.10   0.03     0.11   0.03   0.00
    15   8    -0.01  -0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    16   1     0.01   0.11  -0.01     0.01   0.14   0.01    -0.05   0.04  -0.00
    17   1     0.01   0.23   0.14    -0.01  -0.16  -0.09     0.02   0.39   0.24
    18   1    -0.08   0.06  -0.06    -0.25   0.17  -0.18     0.13  -0.09   0.09
    19   1     0.15   0.07  -0.09    -0.05  -0.03   0.03    -0.31  -0.15   0.15
    20   8     0.00  -0.01   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.36  -0.05   0.08     0.27   0.01   0.00     0.14  -0.01   0.01
    22   1     0.37   0.18  -0.07    -0.25  -0.02   0.00    -0.17   0.01  -0.01
    23   1     0.08   0.09   0.00     0.18   0.17  -0.01    -0.02  -0.01   0.00
    24   1    -0.25  -0.05   0.15     0.16   0.03  -0.09     0.07   0.01  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1274.0805              1280.5282              1306.9922
 Red. masses --      1.2554                 1.2923                 1.1518
 Frc consts  --      1.2007                 1.2485                 1.1593
 IR Inten    --     19.9903                69.1661                 8.6203
 RamAct Fr= 1--      3.0593                 3.2816                 1.8510
  Dep-P Fr= 1--      0.3081                 0.3615                 0.7413
  Dep-U Fr= 1--      0.4710                 0.5311                 0.8514
 Alpha2 Fr= 1--      0.0306                 0.0277                 0.0003
 Beta2  Fr= 1--      0.2402                 0.2905                 0.2627
 AlphaG Fr= 1--     -0.0021                 0.0192                 0.0013
 Gamma2 Fr= 1--     -0.3946                -0.0159                 0.3421
 Delta2 Fr= 1--     -0.9527                -0.6349                 0.3178
 Raman1 Fr= 1--      12.237                 13.126                  7.404
 ROA1   Fr= 1--     -68.371                -21.849                 43.015
 CID1   Fr= 1--      -5.587                 -1.664                  5.810
 Raman2 Fr= 1--       2.882                  3.485                  3.152
 ROA2   Fr= 1--      -1.849                  4.697                  5.669
 CID2   Fr= 1--      -0.642                  1.348                  1.799
 Raman3 Fr= 1--       5.764                  6.971                  6.304
 ROA3   Fr= 1--     -68.371                -21.849                 43.015
 CID3   Fr= 1--     -11.862                 -3.134                  6.824
 RC180  Fr= 1--      -0.058                  0.062                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.02  -0.04   0.01     0.02   0.00   0.00
     2   6     0.01  -0.02  -0.03    -0.02   0.08   0.03     0.01   0.02   0.00
     3   6     0.02   0.01   0.05    -0.00   0.01  -0.01    -0.01   0.00  -0.02
     4   6    -0.02  -0.05  -0.09    -0.01  -0.01  -0.04    -0.05  -0.01  -0.00
     5   8    -0.00   0.01   0.00     0.00  -0.02   0.02    -0.01  -0.01  -0.00
     6   6    -0.02  -0.03   0.03     0.01   0.08  -0.06    -0.06   0.02   0.05
     7   8     0.00  -0.00  -0.01     0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1    -0.20   0.08   0.02     0.09  -0.09   0.01    -0.03  -0.16  -0.01
     9   8     0.00   0.00   0.01     0.00  -0.04  -0.01    -0.00  -0.01  -0.01
    10   1    -0.12   0.16  -0.03     0.53  -0.19   0.05     0.14  -0.13   0.01
    11   1    -0.12   0.54   0.06     0.08   0.32  -0.00     0.05  -0.11  -0.03
    12   8     0.02  -0.01  -0.01     0.01  -0.01   0.01    -0.01   0.00   0.00
    13   6     0.02   0.03   0.01     0.02   0.01   0.02    -0.02  -0.01  -0.02
    14   1     0.18  -0.02  -0.09    -0.04   0.02  -0.05     0.51   0.35   0.01
    15   8    -0.01  -0.00  -0.01     0.01  -0.01   0.02    -0.00  -0.01  -0.01
    16   1     0.13   0.10   0.03    -0.03  -0.31  -0.05     0.57  -0.23   0.07
    17   1    -0.00  -0.03  -0.02    -0.01  -0.09  -0.05     0.00   0.08   0.05
    18   1     0.04  -0.03   0.02    -0.33   0.22  -0.21    -0.05   0.03  -0.03
    19   1    -0.33  -0.16   0.16    -0.10  -0.05   0.05     0.08   0.04  -0.04
    20   8     0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    21   1    -0.37   0.01  -0.05    -0.16   0.01  -0.03     0.21  -0.01   0.03
    22   1     0.34   0.02  -0.00     0.07  -0.03   0.02     0.16   0.06  -0.04
    23   1     0.17   0.17  -0.00    -0.28  -0.30   0.01     0.14   0.13  -0.00
    24   1    -0.17  -0.03   0.08    -0.09  -0.02   0.05     0.09   0.01  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1337.3504              1346.4253              1354.5166
 Red. masses --      1.3344                 1.2478                 1.2898
 Frc consts  --      1.4061                 1.3328                 1.3942
 IR Inten    --     31.8658                34.6655                 1.3698
 RamAct Fr= 1--      0.7777                 2.8628                 2.0810
  Dep-P Fr= 1--      0.4855                 0.5340                 0.5373
  Dep-U Fr= 1--      0.6537                 0.6962                 0.6990
 Alpha2 Fr= 1--      0.0041                 0.0119                 0.0085
 Beta2  Fr= 1--      0.0847                 0.3322                 0.2424
 AlphaG Fr= 1--      0.0093                 0.0101                 0.0139
 Gamma2 Fr= 1--      0.0776                -0.3877                -0.0375
 Delta2 Fr= 1--     -0.0698                 0.7704                -0.0027
 Raman1 Fr= 1--       3.111                 11.451                  8.324
 ROA1   Fr= 1--       5.218                -12.565                 -3.690
 CID1   Fr= 1--       1.677                 -1.097                 -0.443
 Raman2 Fr= 1--       1.017                  3.986                  2.909
 ROA2   Fr= 1--       2.422                -15.467                 -0.879
 CID2   Fr= 1--       2.382                 -3.880                 -0.302
 Raman3 Fr= 1--       2.033                  7.973                  5.818
 ROA3   Fr= 1--       5.218                -12.565                 -3.690
 CID3   Fr= 1--       2.566                 -1.576                 -0.634
 RC180  Fr= 1--       0.307                  0.392                  0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.04    -0.08  -0.02  -0.04     0.01  -0.01   0.01
     2   6    -0.01  -0.01  -0.00    -0.05  -0.03   0.05     0.01  -0.03   0.00
     3   6    -0.03   0.05   0.04     0.00  -0.02  -0.00     0.03  -0.04  -0.04
     4   6    -0.07   0.05  -0.02     0.01  -0.03   0.00    -0.03  -0.08  -0.02
     5   8     0.02  -0.01   0.04     0.00   0.01  -0.01    -0.00  -0.00   0.04
     6   6     0.04   0.01  -0.04    -0.03  -0.01   0.02     0.05   0.01  -0.06
     7   8     0.02   0.01   0.02     0.02   0.01  -0.00    -0.01  -0.00  -0.01
     8   1    -0.02   0.04  -0.04     0.23   0.51   0.01     0.05   0.15   0.02
     9   8     0.00   0.01  -0.00     0.00   0.04  -0.03     0.00   0.00   0.01
    10   1    -0.03  -0.01  -0.01     0.26  -0.22   0.07    -0.19   0.19  -0.01
    11   1     0.26  -0.08   0.03     0.34   0.15  -0.00    -0.00   0.07  -0.05
    12   8     0.02  -0.01  -0.01    -0.01   0.00   0.02    -0.03   0.01   0.02
    13   6    -0.05  -0.04  -0.03     0.01   0.02   0.01    -0.02   0.02   0.01
    14   1     0.46  -0.17  -0.01    -0.08   0.10  -0.00     0.13   0.68  -0.01
    15   8     0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.03
    16   1    -0.31   0.20  -0.05     0.21   0.04   0.03    -0.25   0.21  -0.07
    17   1    -0.02  -0.28  -0.16    -0.01  -0.25  -0.15     0.01   0.14   0.08
    18   1     0.07  -0.05   0.04     0.35  -0.23   0.22    -0.00   0.00  -0.01
    19   1    -0.24  -0.12   0.11     0.11   0.05  -0.05     0.27   0.14  -0.12
    20   8    -0.01   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   1     0.34  -0.03   0.06    -0.09   0.02  -0.02    -0.05   0.02  -0.03
    22   1     0.32   0.09  -0.05    -0.03  -0.03   0.01     0.23  -0.02   0.01
    23   1    -0.13  -0.12   0.01     0.02   0.03   0.00    -0.20  -0.21   0.01
    24   1     0.18   0.03  -0.11    -0.06  -0.01   0.04    -0.03  -0.01   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.3402              1388.4756              1403.6213
 Red. masses --      1.2083                 1.3584                 1.4155
 Frc consts  --      1.3310                 1.5430                 1.6431
 IR Inten    --      5.4749                24.7013                 3.4643
 RamAct Fr= 1--      0.6997                 3.4101                 4.6258
  Dep-P Fr= 1--      0.5451                 0.6714                 0.7500
  Dep-U Fr= 1--      0.7056                 0.8034                 0.8571
 Alpha2 Fr= 1--      0.0027                 0.0048                 0.0000
 Beta2  Fr= 1--      0.0823                 0.4566                 0.6608
 AlphaG Fr= 1--     -0.0001                 0.0010                -0.0001
 Gamma2 Fr= 1--      0.6418                -1.8887                 1.3441
 Delta2 Fr= 1--      0.3329                -0.9250                -0.1190
 Raman1 Fr= 1--       2.799                 13.640                 18.503
 ROA1   Fr= 1--      72.265               -210.914                125.226
 CID1   Fr= 1--      25.820                -15.462                  6.768
 Raman2 Fr= 1--       0.987                  5.479                  7.930
 ROA2   Fr= 1--      12.740                -37.929                 33.211
 CID2   Fr= 1--      12.903                 -6.922                  4.188
 Raman3 Fr= 1--       1.975                 10.958                 15.860
 ROA3   Fr= 1--      72.265               -210.914                125.226
 CID3   Fr= 1--      36.593                -19.247                  7.896
 RC180  Fr= 1--       0.411                  0.607                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.04    -0.04   0.02  -0.01     0.01  -0.02   0.01
     2   6     0.04  -0.00  -0.02     0.02   0.07  -0.02    -0.03   0.09  -0.02
     3   6    -0.07  -0.01  -0.01     0.00  -0.04  -0.02     0.05  -0.01   0.00
     4   6    -0.00  -0.03   0.02     0.05  -0.02  -0.01    -0.08   0.01   0.01
     5   8    -0.00   0.01   0.00    -0.00   0.02  -0.01    -0.00   0.01   0.01
     6   6     0.00  -0.01   0.01     0.02  -0.06   0.07     0.04  -0.09   0.04
     7   8     0.01   0.01   0.03     0.00   0.00   0.01    -0.01  -0.01  -0.01
     8   1    -0.06  -0.44  -0.09     0.14  -0.23  -0.03    -0.04   0.08   0.02
     9   8    -0.00  -0.01   0.01     0.00  -0.01   0.00     0.00  -0.01  -0.00
    10   1    -0.25   0.01  -0.04     0.04  -0.35  -0.03     0.26  -0.39  -0.01
    11   1     0.66   0.17  -0.01     0.04   0.17  -0.02    -0.22  -0.01   0.00
    12   8    -0.01  -0.00   0.02    -0.01   0.01   0.01    -0.01   0.01  -0.00
    13   6     0.04   0.03  -0.00    -0.07  -0.03   0.01     0.05   0.03  -0.01
    14   1     0.09   0.13   0.02    -0.32   0.11  -0.02     0.41  -0.02   0.03
    15   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.04    -0.01   0.00  -0.01
    16   1    -0.07   0.02   0.01    -0.28   0.08   0.06    -0.29   0.38   0.03
    17   1    -0.01  -0.17  -0.10    -0.00  -0.08  -0.05     0.00   0.05   0.03
    18   1    -0.07   0.04  -0.04    -0.10   0.07  -0.07    -0.07   0.05  -0.05
    19   1     0.02   0.01  -0.01     0.14   0.07  -0.06     0.07   0.04  -0.04
    20   8     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.01  -0.02  -0.01
    21   1    -0.09   0.02  -0.03     0.03  -0.03   0.03     0.02   0.04  -0.06
    22   1    -0.33  -0.06   0.02     0.48   0.04  -0.02    -0.35  -0.01   0.01
    23   1     0.05   0.05  -0.00     0.27   0.27  -0.02     0.14   0.15  -0.01
    24   1    -0.18  -0.04   0.10     0.27   0.06  -0.13    -0.27  -0.06   0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.4196              1430.1880              1436.9663
 Red. masses --      1.6478                 1.2686                 1.5223
 Frc consts  --      1.9643                 1.5288                 1.8520
 IR Inten    --      4.7108                42.3640                 4.6173
 RamAct Fr= 1--      5.9508                 1.8157                 2.2697
  Dep-P Fr= 1--      0.6711                 0.7273                 0.5715
  Dep-U Fr= 1--      0.8032                 0.8421                 0.7273
 Alpha2 Fr= 1--      0.0083                 0.0007                 0.0076
 Beta2  Fr= 1--      0.7966                 0.2548                 0.2751
 AlphaG Fr= 1--     -0.0178                 0.0092                 0.0238
 Gamma2 Fr= 1--     -0.4704                 0.0680                 0.3248
 Delta2 Fr= 1--     -0.1676                 0.2723                 0.0248
 Raman1 Fr= 1--      23.803                  7.263                  9.079
 ROA1   Fr= 1--     -50.521                 15.246                 31.971
 CID1   Fr= 1--      -2.122                  2.099                  3.522
 Raman2 Fr= 1--       9.559                  3.058                  3.302
 ROA2   Fr= 1--      -9.949                 -0.545                  7.597
 CID2   Fr= 1--      -1.041                 -0.178                  2.301
 Raman3 Fr= 1--      19.119                  6.116                  6.603
 ROA3   Fr= 1--     -50.521                 15.246                 31.971
 CID3   Fr= 1--      -2.642                  2.493                  4.842
 RC180  Fr= 1--       0.606                  0.684                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.05   0.02    -0.05   0.03   0.00     0.10   0.01   0.01
     2   6    -0.13  -0.04  -0.02     0.02   0.04  -0.02    -0.03  -0.01  -0.00
     3   6    -0.07   0.06  -0.00     0.02  -0.00  -0.00    -0.03  -0.14   0.00
     4   6     0.05  -0.06   0.01     0.02   0.01  -0.00    -0.01   0.10  -0.01
     5   8    -0.00   0.01   0.00    -0.00   0.01  -0.01     0.00  -0.01  -0.01
     6   6     0.02  -0.04   0.00    -0.06  -0.08  -0.04    -0.01  -0.01  -0.02
     7   8    -0.01  -0.01  -0.01     0.01   0.00   0.01    -0.03  -0.01  -0.02
     8   1    -0.35  -0.27  -0.02     0.11  -0.25  -0.02    -0.30   0.11   0.01
     9   8     0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    10   1     0.60   0.04   0.04    -0.03  -0.07  -0.03     0.07   0.03   0.01
    11   1     0.18  -0.20  -0.01    -0.11   0.00  -0.00     0.27   0.50   0.01
    12   8     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03   0.02   0.02
    13   6    -0.01   0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.02  -0.00
    14   1    -0.14   0.21   0.00    -0.08  -0.04  -0.01     0.00  -0.39  -0.00
    15   8     0.00   0.01   0.00     0.02   0.02   0.05     0.01   0.01   0.01
    16   1    -0.09   0.24  -0.01     0.50   0.65  -0.06     0.11   0.13  -0.02
    17   1     0.01   0.14   0.09    -0.00  -0.12  -0.07     0.01   0.26   0.14
    18   1     0.20  -0.13   0.13    -0.05   0.03  -0.04     0.01  -0.01   0.01
    19   1    -0.17  -0.09   0.08    -0.00  -0.00   0.00     0.30   0.15  -0.14
    20   8    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01   0.00
    21   1    -0.10  -0.02   0.04    -0.10  -0.02   0.02     0.29   0.02  -0.04
    22   1     0.05  -0.04   0.00    -0.00   0.02  -0.00     0.12   0.07  -0.01
    23   1    -0.02  -0.02   0.00    -0.28  -0.27   0.03    -0.08  -0.09   0.01
    24   1     0.08   0.02  -0.04     0.12   0.03  -0.06    -0.03  -0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1444.9234              1450.0553              1515.6148
 Red. masses --      1.5176                 1.3562                 1.0892
 Frc consts  --      1.8668                 1.6801                 1.4742
 IR Inten    --      4.6049                99.4391                 1.1354
 RamAct Fr= 1--      3.4245                 2.9715                 4.4798
  Dep-P Fr= 1--      0.6013                 0.3532                 0.7360
  Dep-U Fr= 1--      0.7510                 0.5220                 0.8479
 Alpha2 Fr= 1--      0.0094                 0.0258                 0.0011
 Beta2  Fr= 1--      0.4287                 0.2585                 0.6331
 AlphaG Fr= 1--      0.0046                 0.0234                -0.0008
 Gamma2 Fr= 1--      0.1129                -0.7331                -0.1356
 Delta2 Fr= 1--      0.1849                -0.4196                -0.0246
 Raman1 Fr= 1--      13.698                 11.886                 17.919
 ROA1   Fr= 1--      16.757                -83.805                -13.807
 CID1   Fr= 1--       1.223                 -7.051                 -0.770
 Raman2 Fr= 1--       5.144                  3.102                  7.597
 ROA2   Fr= 1--       1.232                -14.237                 -3.058
 CID2   Fr= 1--       0.239                 -4.589                 -0.403
 Raman3 Fr= 1--      10.288                  6.204                 15.194
 ROA3   Fr= 1--      16.757                -83.805                -13.807
 CID3   Fr= 1--       1.629                -13.507                 -0.909
 RC180  Fr= 1--       0.502                  0.044                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.11  -0.01    -0.01   0.03   0.00    -0.00   0.00   0.00
     2   6     0.05   0.09   0.01    -0.02  -0.03   0.00    -0.00  -0.00  -0.00
     3   6    -0.09   0.06   0.01     0.03  -0.05  -0.00     0.01  -0.01  -0.00
     4   6     0.02  -0.02   0.00    -0.07   0.02  -0.01    -0.01   0.01  -0.00
     5   8    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.00  -0.00   0.00
     6   6    -0.01  -0.03   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
     7   8    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.21   0.56   0.04     0.01  -0.10  -0.01     0.01  -0.01   0.00
     9   8    -0.01  -0.03   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    10   1    -0.25  -0.24  -0.03     0.09   0.08   0.01     0.00   0.00   0.00
    11   1     0.34  -0.13   0.00    -0.05   0.14   0.00    -0.03   0.04  -0.00
    12   8     0.02  -0.01  -0.00    -0.02   0.01   0.01    -0.00   0.00   0.00
    13   6     0.03  -0.03  -0.01     0.09  -0.07  -0.01    -0.01   0.06  -0.05
    14   1    -0.04   0.05   0.00     0.21  -0.07  -0.00     0.04  -0.04  -0.00
    15   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.08   0.11   0.00    -0.11  -0.09   0.00     0.00   0.00   0.00
    17   1     0.01   0.20   0.12     0.00  -0.02  -0.01    -0.00   0.00   0.00
    18   1    -0.22   0.14  -0.13     0.08  -0.05   0.04     0.00  -0.00   0.00
    19   1    -0.11  -0.06   0.06     0.16   0.08  -0.06     0.02   0.01  -0.01
    20   8    -0.02   0.02   0.01    -0.04   0.05   0.02     0.00   0.00  -0.00
    21   1    -0.23  -0.08   0.10    -0.52  -0.16   0.12     0.01  -0.13   0.70
    22   1    -0.07  -0.02  -0.00    -0.24   0.08  -0.02     0.06  -0.69   0.04
    23   1    -0.01  -0.00   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
    24   1     0.26   0.07  -0.13     0.58   0.15  -0.29    -0.02   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2976.0150              2979.0203              2987.5053
 Red. masses --      1.0811                 1.0725                 1.0800
 Frc consts  --      5.6414                 5.6080                 5.6795
 IR Inten    --      7.2280                31.0814                 2.4421
 RamAct Fr= 1--     63.1102               133.3777               183.1212
  Dep-P Fr= 1--      0.1616                 0.1177                 0.1550
  Dep-U Fr= 1--      0.2782                 0.2106                 0.2684
 Alpha2 Fr= 1--      0.9473                 2.2356                 2.7953
 Beta2  Fr= 1--      2.9260                 4.6824                 8.1906
 AlphaG Fr= 1--      0.1184                 0.6699                 0.1526
 Gamma2 Fr= 1--      1.8837                 4.4693                -3.2745
 Delta2 Fr= 1--      0.0564                 2.6505                -1.5552
 Raman1 Fr= 1--     252.441                533.511                732.485
 ROA1   Fr= 1--     182.643                513.870               -364.124
 CID1   Fr= 1--       0.724                  0.963                 -0.497
 Raman2 Fr= 1--      35.112                 56.189                 98.287
 ROA2   Fr= 1--      44.758                 86.059                -66.147
 CID2   Fr= 1--       1.275                  1.532                 -0.673
 Raman3 Fr= 1--      70.224                112.378                196.574
 ROA3   Fr= 1--     182.643                513.870               -364.124
 CID3   Fr= 1--       2.601                  4.573                 -1.852
 RC180  Fr= 1--      -0.444                 -0.579                 -0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00   0.00  -0.01     0.00  -0.01   0.05
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.06
     4   6    -0.00  -0.00  -0.01     0.00  -0.00   0.03    -0.00   0.00   0.03
     5   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00   0.02  -0.24    -0.00  -0.01   0.09     0.01   0.05  -0.59
     9   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.07  -0.03   0.92    -0.01  -0.00   0.13    -0.00  -0.00   0.05
    11   1    -0.00   0.00  -0.18    -0.00   0.00  -0.13     0.00  -0.01   0.72
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.01    -0.01   0.00  -0.07    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.13     0.01   0.00  -0.32     0.01   0.00  -0.33
    15   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00  -0.16    -0.00   0.00  -0.02    -0.00   0.00   0.10
    17   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.00   0.01   0.00     0.01  -0.15  -0.05     0.00   0.00   0.00
    22   1    -0.00  -0.01  -0.10     0.02   0.10   0.90     0.00   0.00   0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.5604              3007.4540              3018.5284
 Red. masses --      1.0825                 1.0849                 1.0863
 Frc consts  --      5.7191                 5.7815                 5.8318
 IR Inten    --      2.1779                27.6451               130.2110
 RamAct Fr= 1--     13.0286                33.6164                45.5741
  Dep-P Fr= 1--      0.3938                 0.1561                 0.1847
  Dep-U Fr= 1--      0.5651                 0.2701                 0.3119
 Alpha2 Fr= 1--      0.0986                 0.5116                 0.6443
 Beta2  Fr= 1--      1.2271                 1.5133                 2.3689
 AlphaG Fr= 1--      0.0381                -0.4717                -0.5815
 Gamma2 Fr= 1--     -0.5620                 2.3298                -3.6301
 Delta2 Fr= 1--     -2.4121                 2.8410                 0.0122
 Raman1 Fr= 1--      52.115                134.465                182.296
 ROA1   Fr= 1--    -131.136                314.571               -348.100
 CID1   Fr= 1--      -2.516                  2.339                 -1.910
 Raman2 Fr= 1--      14.725                 18.159                 28.426
 ROA2   Fr= 1--       5.810                 33.187                -87.220
 CID2   Fr= 1--       0.395                  1.828                 -3.068
 Raman3 Fr= 1--      29.449                 36.319                 56.852
 ROA3   Fr= 1--    -131.136                314.571               -348.100
 CID3   Fr= 1--      -4.453                  8.661                 -6.123
 RC180  Fr= 1--       0.130                 -0.460                 -0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.05    -0.00  -0.00   0.02     0.00   0.00  -0.03
     2   6    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02     0.00  -0.00   0.04    -0.00   0.00  -0.03
     4   6     0.00  -0.00  -0.05    -0.00   0.00   0.04     0.00   0.00  -0.03
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.05     0.00  -0.00  -0.06
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.01   0.05  -0.59    -0.00   0.02  -0.27    -0.01  -0.04   0.39
     9   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   1     0.02   0.01  -0.23     0.00   0.00  -0.02    -0.02  -0.01   0.26
    11   1    -0.01   0.01  -0.22    -0.00   0.01  -0.52     0.01  -0.00   0.32
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.00   0.00  -0.01
    14   1    -0.02  -0.01   0.65     0.01  -0.00  -0.50    -0.02  -0.00   0.30
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.00   0.00   0.18    -0.01   0.01   0.60    -0.01   0.02   0.75
    17   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.08  -0.03    -0.00   0.07   0.02     0.00  -0.04  -0.01
    22   1     0.01   0.03   0.28    -0.01  -0.02  -0.20     0.01   0.01   0.09
    23   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01
    24   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3092.0572              3736.4656              3760.0278
 Red. masses --      1.0924                 1.0659                 1.0650
 Frc consts  --      6.1535                 8.7680                 8.8709
 IR Inten    --     24.3998               119.5738                38.4894
 RamAct Fr= 1--     99.8080                59.6758                74.6144
  Dep-P Fr= 1--      0.2942                 0.1046                 0.1512
  Dep-U Fr= 1--      0.4546                 0.1894                 0.2626
 Alpha2 Fr= 1--      1.0416                 1.0331                 1.1501
 Beta2  Fr= 1--      7.5623                 1.8839                 3.2660
 AlphaG Fr= 1--     -0.6347                -0.0860                -0.1399
 Gamma2 Fr= 1--     -5.6201                -1.3736                -2.7843
 Delta2 Fr= 1--     -2.1297                -0.5480                -1.1001
 Raman1 Fr= 1--     399.232                238.703                298.458
 ROA1   Fr= 1--    -607.675               -149.401               -302.496
 CID1   Fr= 1--      -1.522                 -0.626                 -1.014
 Raman2 Fr= 1--      90.748                 22.607                 39.192
 ROA2   Fr= 1--    -117.844                -28.582                -58.023
 CID2   Fr= 1--      -1.299                 -1.264                 -1.480
 Raman3 Fr= 1--     181.496                 45.214                 78.383
 ROA3   Fr= 1--    -607.675               -149.401               -302.496
 CID3   Fr= 1--      -3.348                 -3.304                 -3.859
 RC180  Fr= 1--      -0.091                 -0.621                 -0.475
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.04   0.01
    19   1     0.00  -0.00  -0.00    -0.03   0.09   0.02     0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.08   0.95   0.23     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.00   0.16     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.17   0.97
    24   1     0.01  -0.02  -0.01    -0.13   0.98   0.06     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3777.3655              3779.8882              3792.9608
 Red. masses --      1.0658                 1.0658                 1.0660
 Frc consts  --      8.9602                 8.9720                 9.0360
 IR Inten    --     45.7416                49.4016                60.3985
 RamAct Fr= 1--     65.4789                78.8865                90.2208
  Dep-P Fr= 1--      0.1740                 0.2079                 0.1770
  Dep-U Fr= 1--      0.2964                 0.3443                 0.3008
 Alpha2 Fr= 1--      0.9519                 1.0489                 1.3013
 Beta2  Fr= 1--      3.2348                 4.5267                 4.5230
 AlphaG Fr= 1--     -0.3808                -0.3188                 0.4491
 Gamma2 Fr= 1--     -1.9752                 0.6870                 2.1370
 Delta2 Fr= 1--      1.1786                 2.1344                -0.3855
 Raman1 Fr= 1--     261.916                315.546                360.883
 ROA1   Fr= 1--    -151.902                134.256                192.815
 CID1   Fr= 1--      -0.580                  0.425                  0.534
 Raman2 Fr= 1--      38.818                 54.321                 54.276
 ROA2   Fr= 1--     -56.833                 -0.586                 54.371
 CID2   Fr= 1--      -1.464                 -0.011                  1.002
 Raman3 Fr= 1--      77.636                108.642                108.551
 ROA3   Fr= 1--    -151.902                134.256                192.815
 CID3   Fr= 1--      -1.957                  1.236                  1.776
 RC180  Fr= 1--      -0.407                 -0.311                 -0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.04  -0.05   0.01    -0.00  -0.00   0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.02  -0.06  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.01  -0.01   0.00    -0.03   0.01  -0.01     0.92  -0.28   0.27
    18   1    -0.00  -0.00   0.00     0.66   0.73  -0.15     0.02   0.02  -0.01
    19   1    -0.29   0.92   0.22    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00  -0.00   0.00     0.01  -0.01   0.05    -0.00   0.00  -0.01
    24   1     0.01  -0.10  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1376.673832454.181313661.00849
           X            0.99998  -0.00613   0.00178
           Y            0.00614   0.99997  -0.00485
           Z           -0.00175   0.00486   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06292     0.03529     0.02366
 Rotational constants (GHZ):           1.31094     0.73537     0.49296
 Zero-point vibrational energy     517141.2 (Joules/Mol)
                                  123.59972 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     97.63   153.77   170.52   236.73   301.94
          (Kelvin)            332.60   358.12   408.01   427.25   475.28
                              486.02   535.68   565.68   573.06   581.31
                              605.62   642.19   689.12   720.36   793.27
                              860.82   891.98   958.15  1294.35  1435.48
                             1453.70  1472.46  1509.95  1553.43  1568.83
                             1581.63  1588.58  1603.18  1610.14  1634.72
                             1670.01  1710.91  1767.29  1797.65  1833.12
                             1842.39  1880.47  1924.15  1937.21  1948.85
                             1967.30  1997.71  2019.50  2046.54  2057.72
                             2067.47  2078.92  2086.31  2180.63  4281.82
                             4286.15  4298.35  4308.50  4327.06  4342.99
                             4448.78  5375.94  5409.84  5434.79  5438.42
                             5457.22
 
 Zero-point correction=                           0.196969 (Hartree/Particle)
 Thermal correction to Energy=                    0.209276
 Thermal correction to Enthalpy=                  0.210221
 Thermal correction to Gibbs Free Energy=         0.159487
 Sum of electronic and zero-point Energies=           -687.312263
 Sum of electronic and thermal Energies=              -687.299956
 Sum of electronic and thermal Enthalpies=            -687.299012
 Sum of electronic and thermal Free Energies=         -687.349745
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.323             47.395            106.779
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.893
 Vibrational            129.546             41.433             34.415
 Vibration     1          0.598              1.970              4.215
 Vibration     2          0.606              1.944              3.325
 Vibration     3          0.609              1.934              3.124
 Vibration     4          0.623              1.886              2.497
 Vibration     5          0.642              1.826              2.045
 Vibration     6          0.653              1.793              1.870
 Vibration     7          0.662              1.765              1.738
 Vibration     8          0.682              1.704              1.512
 Vibration     9          0.691              1.679              1.434
 Vibration    10          0.713              1.615              1.258
 Vibration    11          0.718              1.600              1.223
 Vibration    12          0.744              1.529              1.070
 Vibration    13          0.760              1.485              0.988
 Vibration    14          0.765              1.474              0.969
 Vibration    15          0.769              1.461              0.948
 Vibration    16          0.783              1.425              0.889
 Vibration    17          0.806              1.369              0.807
 Vibration    18          0.835              1.297              0.713
 Vibration    19          0.856              1.249              0.656
 Vibration    20          0.907              1.137              0.541
 Vibration    21          0.956              1.035              0.453
 Vibration    22          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.437799D-73        -73.358726       -168.914708
 Total V=0       0.173981D+18         17.240501         39.697720
 Vib (Bot)       0.366157D-87        -87.436332       -201.329595
 Vib (Bot)    1  0.304036D+01          0.482925          1.111975
 Vib (Bot)    2  0.191756D+01          0.282749          0.651054
 Vib (Bot)    3  0.172489D+01          0.236761          0.545163
 Vib (Bot)    4  0.122694D+01          0.088824          0.204525
 Vib (Bot)    5  0.946486D+00         -0.023886         -0.054999
 Vib (Bot)    6  0.851576D+00         -0.069777         -0.160667
 Vib (Bot)    7  0.784521D+00         -0.105395         -0.242682
 Vib (Bot)    8  0.676684D+00         -0.169614         -0.390551
 Vib (Bot)    9  0.641523D+00         -0.192788         -0.443911
 Vib (Bot)   10  0.565501D+00         -0.247567         -0.570044
 Vib (Bot)   11  0.550452D+00         -0.259281         -0.597016
 Vib (Bot)   12  0.488218D+00         -0.311386         -0.716993
 Vib (Bot)   13  0.455586D+00         -0.341430         -0.786172
 Vib (Bot)   14  0.448058D+00         -0.348666         -0.802833
 Vib (Bot)   15  0.439843D+00         -0.356703         -0.821338
 Vib (Bot)   16  0.416851D+00         -0.380019         -0.875027
 Vib (Bot)   17  0.385339D+00         -0.414157         -0.953631
 Vib (Bot)   18  0.349494D+00         -0.456561         -1.051270
 Vib (Bot)   19  0.328066D+00         -0.484038         -1.114539
 Vib (Bot)   20  0.284262D+00         -0.546281         -1.257859
 Vib (Bot)   21  0.250008D+00         -0.602045         -1.386261
 Vib (Bot)   22  0.235897D+00         -0.627278         -1.444360
 Vib (V=0)       0.145510D+04          3.162894          7.282832
 Vib (V=0)    1  0.358120D+01          0.554028          1.275697
 Vib (V=0)    2  0.248168D+01          0.394745          0.908934
 Vib (V=0)    3  0.229590D+01          0.360952          0.831124
 Vib (V=0)    4  0.182491D+01          0.261242          0.601531
 Vib (V=0)    5  0.157044D+01          0.196021          0.451354
 Vib (V=0)    6  0.148751D+01          0.172461          0.397105
 Vib (V=0)    7  0.143031D+01          0.155430          0.357890
 Vib (V=0)    8  0.134137D+01          0.127548          0.293690
 Vib (V=0)    9  0.131336D+01          0.118383          0.272587
 Vib (V=0)   10  0.125485D+01          0.098590          0.227012
 Vib (V=0)   11  0.124364D+01          0.094694          0.218041
 Vib (V=0)   12  0.119883D+01          0.078756          0.181342
 Vib (V=0)   13  0.117643D+01          0.070566          0.162485
 Vib (V=0)   14  0.117138D+01          0.068699          0.158185
 Vib (V=0)   15  0.116593D+01          0.066672          0.153518
 Vib (V=0)   16  0.115097D+01          0.061065          0.140607
 Vib (V=0)   17  0.113126D+01          0.053562          0.123330
 Vib (V=0)   18  0.111004D+01          0.045338          0.104394
 Vib (V=0)   19  0.109802D+01          0.040610          0.093508
 Vib (V=0)   20  0.107516D+01          0.031472          0.072466
 Vib (V=0)   21  0.105902D+01          0.024904          0.057345
 Vib (V=0)   22  0.105285D+01          0.022368          0.051504
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.125897D+07          6.100015         14.045803
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   0009999                                    544444433333322221111110000009  9    6655544443333322222 111   
   98763                   9109877                                    154332086543087428631109984219  0    6295074209973398431 6106  
   30706                   2975896                                    605702487567714989169449009308  0    6081196148328074910 5978  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X    XXXXXXXXXXXXXXXXXXX XXXX  
   XXXXX                   XXX  X                                      X  X  X  XX XX   X XXXXX XXXX       X  XX X XX X X X          
   XXXXX                    XX  X                                      X  X     XX X    X XXXXX X XX          XX   XX X X            
   XXXXX                    X                                          X  X        X    X XXXXX   XX           X   XX X X            
   XX  X                    X                                          X           X      XXXXX    X           X   XX X X            
   X   X                    X                                          X           X      XXXXX    X           X   XX X              
       X                    X                                          X           X      X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
                            X                                                             X  XX    X           X   X                 
                                                                                             XX                X   X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010123    0.000039524    0.000009867
      2        6          -0.000043983    0.000004406   -0.000021617
      3        6           0.000012114   -0.000013939   -0.000005191
      4        6           0.000044431    0.000051519   -0.000012009
      5        8          -0.000062337   -0.000030079    0.000007063
      6        6           0.000053374   -0.000000236    0.000015720
      7        8           0.000003876   -0.000020702   -0.000011640
      8        1          -0.000000883   -0.000001263   -0.000008741
      9        8           0.000027652   -0.000011234    0.000007127
     10        1           0.000001535   -0.000001794    0.000007019
     11        1          -0.000003177    0.000003701    0.000004390
     12        8          -0.000009518   -0.000005354   -0.000004296
     13        6           0.000000173   -0.000002943   -0.000000821
     14        1          -0.000004902   -0.000006538    0.000004942
     15        8          -0.000020858   -0.000013476    0.000008050
     16        1          -0.000001748   -0.000003312   -0.000002872
     17        1           0.000001416   -0.000003521   -0.000001196
     18        1           0.000001339   -0.000000168    0.000000083
     19        1           0.000001935   -0.000000762    0.000001211
     20        8          -0.000001702    0.000003951   -0.000000599
     21        1           0.000002953    0.000001151    0.000003038
     22        1           0.000002687    0.000005495   -0.000000024
     23        1           0.000004179    0.000001510   -0.000005942
     24        1           0.000001566    0.000004065    0.000006439
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000062337 RMS     0.000016714
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113225D+03  0.110397D+01 -0.317445D+00
      2   0.110397D+01  0.101624D+03 -0.171585D+01
      3  -0.317445D+00 -0.171585D+01  0.851374D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.187130D+01 -0.454222D+01  0.657615D+01
      2  -0.383460D+01 -0.409613D-01  0.449202D+01
      3  -0.656079D+01 -0.111253D+02  0.149392D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.280944D+02 -0.123954D+02 -0.175245D+02
      2  -0.233031D+02  0.138018D+02  0.116521D+02
      3  -0.479132D+01 -0.140641D+01  0.587237D+01
      4  -0.204447D+02 -0.823420D+01 -0.112144D+01
      5  -0.794346D+01 -0.276623D+01  0.720714D+01
      6  -0.196993D+00  0.138567D+02 -0.122698D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.274112D+01  0.210413D+01 -0.802798D+00  0.147261D+01  0.219983D+01
      2   0.210413D+01  0.206650D+01  0.185944D+00  0.219983D+01 -0.351065D+01
      3  -0.802798D+00  0.185944D+00 -0.576268D+00  0.270627D+00 -0.118189D+01
                 6             7             8             9            10 
      1   0.270627D+00 -0.101576D+01  0.520680D+00 -0.469355D+00  0.306388D+01
      2  -0.118189D+01  0.520680D+00 -0.203113D+01 -0.607518D+00 -0.179358D+01
      3   0.626352D+00 -0.469355D+00 -0.607518D+00  0.827128D+01  0.117731D+01
                11            12            13            14            15 
      1  -0.179358D+01  0.117731D+01 -0.250155D+01 -0.213504D+01 -0.496716D+00
      2  -0.148176D+01 -0.245898D+00 -0.213504D+01  0.177839D+01  0.781055D+00
      3  -0.245898D+00 -0.104107D+01 -0.496716D+00  0.781055D+00  0.126137D+01
                16            17            18            19            20 
      1   0.181413D+01 -0.732989D+00  0.353251D+00  0.148990D+01 -0.222139D+01
      2  -0.732989D+00  0.982994D+00  0.528761D+00 -0.222139D+01 -0.190146D+01
      3   0.353251D+00  0.528761D+00 -0.867368D+01  0.919703D+00  0.135324D+00
                21            22            23            24            25 
      1   0.919703D+00 -0.329187D+01 -0.278114D+01  0.902827D-01  0.177263D+01
      2   0.135324D+00 -0.278114D+01  0.246535D+01  0.893698D+00  0.232665D+00
      3   0.863544D+00  0.902827D-01  0.893698D+00  0.126880D+01  0.138373D+00
                26            27            28            29            30 
      1   0.232665D+00  0.138373D+00 -0.166923D+00  0.342057D+01 -0.117858D+01
      2   0.170023D+01  0.583688D+00  0.342057D+01  0.143181D+01  0.563047D-01
      3   0.583688D+00 -0.788694D+01 -0.117858D+01  0.563047D-01 -0.101889D+01
                31            32            33            34            35 
      1   0.366879D+01  0.270678D+01  0.684617D-01 -0.140551D+01  0.221648D+00
      2   0.270678D+01 -0.336605D+01 -0.953667D+00  0.221648D+00 -0.161047D+01
      3   0.684617D-01 -0.953667D+00 -0.723486D+00 -0.450606D+00 -0.349640D-01
                36            37            38            39            40 
      1  -0.450606D+00  0.213571D+01 -0.297647D+01  0.672877D+00 -0.423236D+01
      2  -0.349640D-01 -0.297647D+01 -0.367364D+00 -0.484019D+00 -0.973723D+00
      3   0.837966D+01  0.672877D+00 -0.484019D+00  0.655605D-01 -0.816843D-01
                41            42            43            44            45 
      1  -0.973723D+00 -0.816843D-01  0.294054D+01  0.244044D+00  0.210333D+00
      2  -0.321923D+01  0.963513D+00  0.244044D+00  0.127887D+01 -0.706675D+00
      3   0.963513D+00  0.579925D+00  0.210333D+00 -0.706675D+00 -0.132631D+01
                46            47            48            49            50 
      1  -0.411736D+01  0.724506D+00 -0.403881D+00  0.299215D+01  0.210451D+01
      2   0.724506D+00  0.187339D+01  0.819585D+00  0.210451D+01 -0.170697D+01
      3  -0.403881D+00  0.819585D+00 -0.488066D+00  0.730055D-01 -0.689857D+00
                51            52            53            54            55 
      1   0.730055D-01 -0.150366D+01  0.266058D+00  0.138408D-01  0.431780D+01
      2  -0.689857D+00  0.266058D+00 -0.137615D+01 -0.581494D-01 -0.916247D+00
      3  -0.218977D+01  0.138408D-01 -0.581494D-01  0.859852D+01  0.128976D+01
                56            57            58            59            60 
      1  -0.916247D+00  0.128976D+01 -0.278122D+00 -0.155910D+00 -0.294314D+00
      2   0.166858D+01 -0.170125D+00 -0.155910D+00  0.782497D+01  0.139383D+01
      3  -0.170125D+00  0.840429D+00 -0.294314D+00  0.139383D+01 -0.210647D+00
                61            62            63            64            65 
      1   0.197217D+01 -0.998768D+00  0.873601D-01  0.467115D+00 -0.329323D+00
      2  -0.998768D+00  0.330290D+01  0.151574D+01 -0.329323D+00 -0.333165D+00
      3   0.873601D-01  0.151574D+01  0.300928D+00 -0.883852D+00 -0.225099D-01
                66            67            68            69            70 
      1  -0.883852D+00 -0.192275D+00 -0.332006D+00  0.220334D-02 -0.167330D+01
      2  -0.225099D-01 -0.332006D+00  0.778564D+00 -0.103541D+01  0.111847D+00
      3   0.186979D+00  0.220334D-02 -0.103541D+01  0.325163D+00 -0.130266D-01
                71            72            73            74            75 
      1   0.111847D+00 -0.130266D-01 -0.400453D+01  0.336139D+01 -0.114231D+01
      2  -0.185218D+01  0.834893D+00  0.336139D+01  0.755879D+00 -0.903329D-01
      3   0.834893D+00 -0.749421D+01 -0.114231D+01 -0.903329D-01  0.904278D+00
                76            77            78            79            80 
      1   0.635967D+01 -0.329305D+00  0.337815D+00 -0.311220D+01  0.239285D+00
      2  -0.329305D+00  0.334792D+01 -0.908178D+00  0.239285D+00 -0.110899D+01
      3   0.337815D+00 -0.908178D+00  0.587528D+00 -0.127712D+01  0.481454D+00
                81            82            83            84            85 
      1  -0.127712D+01 -0.698594D+00  0.340073D+00  0.100891D+01  0.235689D+00
      2   0.481454D+00  0.340073D+00  0.252132D+00  0.464760D-01  0.245663D+00
      3  -0.242615D+00  0.100891D+01  0.464760D-01 -0.254745D+00  0.892650D-01
                86            87            88            89            90 
      1   0.245663D+00  0.892650D-01  0.201180D+01  0.114059D+00 -0.793029D+00
      2  -0.486852D+00  0.100326D+01  0.114059D+00  0.155362D+01 -0.279098D+00
      3   0.100326D+01 -0.602970D+00 -0.793029D+00 -0.279098D+00  0.770954D+01
                91            92            93            94            95 
      1  -0.277887D+00  0.211457D+00  0.978208D+00  0.291754D+00  0.451970D+00
      2   0.211457D+00  0.425981D+00  0.573136D-01  0.451970D+00 -0.414999D+00
      3   0.978208D+00  0.573136D-01 -0.971054D-01  0.616724D-01  0.856657D+00
                96            97            98            99           100 
      1   0.616724D-01  0.182381D+01  0.267550D-02  0.327260D+00  0.622266D+01
      2   0.856657D+00  0.267550D-02  0.164290D+01  0.161453D+00  0.195968D+01
      3  -0.334039D+00  0.327260D+00  0.161453D+00  0.737422D+01 -0.829517D+00
               101           102           103           104           105 
      1   0.195968D+01 -0.829517D+00  0.980202D+00  0.318348D+01  0.132351D+00
      2   0.379140D+01  0.127001D+00  0.318348D+01 -0.295027D+01 -0.100423D+01
      3   0.127001D+00 -0.886685D-01  0.132351D+00 -0.100423D+01 -0.823881D+00
               106           107           108           109           110 
      1  -0.187928D+01 -0.505946D+00  0.105678D+01  0.131493D+01 -0.304653D+01
      2  -0.505946D+00 -0.221680D+01  0.467786D+00 -0.304653D+01  0.568593D+00
      3   0.105678D+01  0.467786D+00 -0.117640D+00  0.187642D+01 -0.385914D+00
               111           112           113           114           115 
      1   0.187642D+01 -0.295050D+01 -0.174576D+01  0.376575D-01  0.297959D+01
      2  -0.385914D+00 -0.174576D+01  0.654931D+01  0.137477D+01  0.445179D-01
      3   0.116638D+01  0.376575D-01  0.137477D+01 -0.470204D+00 -0.194902D+00
               116           117           118           119           120 
      1   0.445179D-01 -0.194902D+00  0.894995D+00 -0.582077D+00 -0.100518D+01
      2   0.139386D+01  0.738339D+00 -0.582077D+00 -0.584605D-01 -0.422208D-01
      3   0.738339D+00 -0.788657D+01 -0.100518D+01 -0.422208D-01  0.691807D+00
               121           122           123           124           125 
      1  -0.631488D+00 -0.912084D-01 -0.658473D-01 -0.233480D+01 -0.936768D-01
      2  -0.912084D-01  0.237833D+00 -0.931556D+00 -0.936768D-01 -0.134591D+01
      3  -0.658473D-01 -0.931556D+00 -0.611448D-01  0.885504D+00 -0.477074D+00
               126           127           128           129           130 
      1   0.885504D+00 -0.418947D+01 -0.263078D+01  0.133831D+00 -0.279568D+01
      2  -0.477074D+00 -0.263078D+01 -0.287868D+01 -0.142338D-01 -0.289488D+01
      3  -0.753477D+01  0.133831D+00 -0.142338D-01  0.525469D-01 -0.375182D+00
               131           132           133           134           135 
      1  -0.289488D+01 -0.375182D+00 -0.696267D+00 -0.801391D+00  0.258196D-01
      2  -0.532639D+01 -0.501627D+00 -0.801391D+00 -0.176931D+01  0.980749D+00
      3  -0.501627D+00  0.132241D+01  0.258196D-01  0.980749D+00 -0.543255D+01
               136           137           138           139           140 
      1  -0.534737D-02 -0.385297D+00 -0.114052D+01 -0.434959D+00 -0.553748D+00
      2  -0.385297D+00 -0.413584D+00 -0.763046D-01 -0.553748D+00 -0.319227D+00
      3  -0.114052D+01 -0.763046D-01 -0.176179D+00  0.835001D-01 -0.926971D+00
               141           142           143           144           145 
      1   0.835001D-01 -0.220120D+01 -0.340346D+00 -0.936912D+00 -0.571935D+01
      2  -0.926971D+00 -0.340346D+00 -0.152791D+01 -0.117841D+01  0.316953D+01
      3  -0.822974D-01 -0.936912D+00 -0.117841D+01 -0.799128D+01 -0.505689D+00
               146           147           148           149           150 
      1   0.316953D+01 -0.505689D+00  0.219327D+01 -0.180207D+01  0.152837D+00
      2  -0.355317D+01  0.600898D-01 -0.180207D+01  0.260168D+01 -0.263126D+00
      3   0.600898D-01 -0.109993D+01  0.152837D+00 -0.263126D+00  0.686540D+00
               151           152           153           154           155 
      1  -0.118924D+01  0.605275D+00 -0.758443D+00 -0.660123D+01 -0.205212D+01
      2   0.605275D+00 -0.954238D+00  0.742403D+00 -0.205212D+01 -0.199393D+01
      3  -0.758443D+00  0.742403D+00 -0.147952D+00  0.545125D-02  0.390554D-01
               156           157           158           159           160 
      1   0.545125D-02 -0.441342D+01 -0.191796D+01 -0.167497D+00  0.810079D+00
      2   0.390554D-01 -0.191796D+01 -0.240135D+01  0.205603D+00  0.170046D+00
      3  -0.103667D+01 -0.167497D+00  0.205603D+00 -0.665494D+00 -0.954695D+00
               161           162           163           164           165 
      1   0.170046D+00 -0.954695D+00 -0.488774D+00  0.646423D+00  0.216269D+00
      2   0.368272D+00 -0.236418D+00  0.646423D+00 -0.100452D+01 -0.246661D-01
      3  -0.236418D+00 -0.634852D-01  0.216269D+00 -0.246661D-01  0.498827D-01
               166           167           168           169           170 
      1   0.208138D+01  0.533564D+00 -0.103862D+00  0.508555D+00 -0.183499D-01
      2   0.533564D+00  0.832003D+01  0.497439D+00 -0.183499D-01  0.125193D+01
      3  -0.103862D+00  0.497439D+00  0.116037D+01  0.208890D+00  0.949740D+00
               171           172           173           174           175 
      1   0.208890D+00  0.866680D+01  0.772248D+00 -0.150856D+01 -0.647969D-02
      2   0.949740D+00  0.772248D+00  0.935648D+00  0.143966D+00  0.255500D+01
      3   0.138614D+00 -0.150856D+01  0.143966D+00  0.158573D+00  0.192690D+00
               176           177           178           179           180 
      1   0.255500D+01  0.192690D+00 -0.288069D+01 -0.192840D+00  0.176043D+01
      2  -0.451639D+01 -0.563252D+00 -0.192840D+00 -0.643909D+00  0.465090D-01
      3  -0.563252D+00 -0.979797D+00  0.176043D+01  0.465090D-01 -0.592158D+00
               181           182           183           184           185 
      1   0.737458D+00 -0.107560D+01 -0.506978D+00 -0.229884D+01  0.231308D+01
      2  -0.107560D+01  0.611240D+00  0.764582D-01  0.231308D+01 -0.918229D+01
      3  -0.506978D+00  0.764582D-01  0.268677D+00  0.719068D-01 -0.741920D+00
               186           187           188           189           190 
      1   0.719068D-01 -0.115102D+01  0.384624D+00  0.441130D+00  0.518097D-01
      2  -0.741920D+00  0.384624D+00 -0.157304D+01 -0.119294D+01  0.270663D+00
      3  -0.100360D+01  0.441130D+00 -0.119294D+01  0.119151D+00  0.106184D+01
               191           192           193           194           195 
      1   0.270663D+00  0.106184D+01  0.822615D+00  0.225888D+00  0.758466D-02
      2   0.399795D-01  0.386458D-01  0.225888D+00 -0.740017D+00  0.891404D+00
      3   0.386458D-01 -0.101380D+00  0.758466D-02  0.891404D+00  0.521445D+00
               196           197           198           199           200 
      1   0.216286D+01 -0.276622D+00  0.980457D+00 -0.523796D+00 -0.259064D+00
      2  -0.276622D+00  0.141434D+01 -0.109003D+01 -0.259064D+00  0.663723D-01
      3   0.980457D+00 -0.109003D+01  0.870249D+01  0.438624D+00 -0.148412D+00
               201           202           203           204           205 
      1   0.438624D+00 -0.367949D+00 -0.310089D+00  0.216842D+00  0.195256D+01
      2  -0.148412D+00 -0.310089D+00 -0.149789D+01  0.917745D+00  0.965805D+00
      3   0.306634D+00  0.216842D+00  0.917745D+00 -0.121820D+01 -0.114374D+01
               206           207           208           209           210 
      1   0.965805D+00 -0.114374D+01  0.171319D+00  0.128782D+01  0.128654D+00
      2   0.279836D+01 -0.252065D+01  0.128782D+01 -0.501415D+00 -0.815279D-01
      3  -0.252065D+01  0.608230D+01  0.128654D+00 -0.815279D-01  0.423683D+00
               211           212           213           214           215 
      1   0.329736D+01 -0.496930D+00 -0.303601D+00  0.294232D+00 -0.162302D+00
      2  -0.496930D+00  0.573450D+01 -0.772883D-01 -0.162302D+00  0.321752D+00
      3  -0.303601D+00 -0.772883D-01  0.102564D+01  0.502398D+00  0.350417D+00
               216 
      1   0.502398D+00
      2   0.350417D+00
      3  -0.286536D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.115532D+01  0.245985D-02 -0.361270D+00 -0.132677D+01  0.219617D+01
      2   0.942543D+00  0.138535D+00  0.127081D+01  0.582833D+00  0.161113D+01
      3  -0.111734D+01  0.442766D+00 -0.947272D+00  0.577746D+01 -0.738763D+00
                 6             7             8             9            10 
      1   0.611898D+00  0.622366D+00  0.390863D+01 -0.836100D+01 -0.667773D+00
      2   0.202426D+00 -0.281386D+01 -0.736900D-01 -0.518836D+01 -0.250771D+01
      3  -0.210364D+00 -0.521008D+00 -0.146935D+01 -0.101198D+01 -0.259694D+01
                11            12            13            14            15 
      1  -0.168596D+01 -0.666803D+00 -0.432851D+00 -0.152884D+01 -0.154482D+01
      2  -0.267104D+00  0.470367D+00  0.388291D+00 -0.137924D+01 -0.187255D+01
      3  -0.513318D+01 -0.138681D+00  0.742400D+00  0.249964D+01  0.237395D+01
                16            17            18            19            20 
      1  -0.108003D+01  0.220493D+01 -0.607559D+00 -0.180544D+01 -0.595544D-01
      2  -0.361646D+01 -0.108546D+01  0.121095D+02 -0.109764D+00  0.105001D+01
      3  -0.787169D+00  0.171507D+01  0.105938D+01  0.227330D+01 -0.409499D+01
                21            22            23            24            25 
      1   0.469351D+00 -0.959752D+00 -0.139335D+01 -0.728831D+00  0.287358D+00
      2   0.191608D+00  0.579707D+00  0.932719D+00 -0.355409D-01 -0.412698D+01
      3   0.263122D+00  0.225436D+01 -0.390929D+01 -0.142589D+01  0.173027D+01
                26            27            28            29            30 
      1   0.211779D+01  0.536301D+01 -0.169793D+01  0.477808D+00  0.101486D+01
      2   0.466885D+00 -0.458634D+01 -0.164824D+01  0.109664D+01 -0.261965D+01
      3  -0.898631D+00 -0.394359D+00 -0.556146D+01 -0.787730D+01  0.397475D+00
                31            32            33            34            35 
      1  -0.706034D+00  0.169184D+00 -0.296708D+00 -0.224676D+00  0.338265D+01
      2  -0.433140D+00 -0.108858D+01 -0.274164D+01 -0.534880D+01  0.736342D+00
      3  -0.410046D+01  0.539985D+01  0.198746D+01  0.922203D+00  0.903125D+00
                36            37            38            39            40 
      1   0.406891D+01  0.204130D+01 -0.348221D-01 -0.112410D+01  0.416134D+00
      2   0.135143D+02  0.444650D+00  0.111369D+00  0.103076D+02 -0.206381D+00
      3   0.455298D+00 -0.413627D+01 -0.113464D+01 -0.151561D+01  0.177161D+02
                41            42            43            44            45 
      1   0.807205D+00 -0.443432D+01  0.179689D+01  0.211426D+01 -0.855587D-01
      2  -0.922370D-01  0.564649D+00 -0.655555D+01 -0.139342D+01  0.108820D+01
      3   0.221002D+01 -0.399112D-01 -0.471866D+01 -0.630534D+00 -0.293931D+00
                46            47            48            49            50 
      1  -0.539152D+00  0.295681D-01 -0.592560D+00 -0.962106D+00 -0.833126D-01
      2   0.130486D+01  0.387387D+00 -0.403064D+01 -0.125962D-01  0.210062D+01
      3   0.771311D+01  0.331381D+01  0.842384D+00 -0.888339D-01 -0.225620D+01
                51            52            53            54            55 
      1  -0.117439D+01 -0.177723D+01  0.303455D+01  0.926307D+01 -0.390953D+01
      2   0.341276D+01 -0.405350D+01 -0.102812D+01 -0.140146D+02 -0.339463D+01
      3  -0.181389D+01  0.181509D+01 -0.186303D+01 -0.314190D+00  0.150698D+02
                56            57            58            59            60 
      1   0.157168D+01 -0.152495D+01  0.210511D+01 -0.379098D+01 -0.587077D+01
      2   0.255848D+01  0.998945D+00  0.658097D+00 -0.213336D+01 -0.442920D+00
      3  -0.519207D+01  0.256768D+01  0.394813D+01  0.872153D+01  0.175667D+00
                61            62            63            64            65 
      1  -0.107762D+01  0.111692D+01 -0.299166D+01  0.109150D+01 -0.385667D-01
      2  -0.426295D+01 -0.890148D-01 -0.108096D+01  0.984824D+00 -0.496677D+00
      3   0.582257D+01  0.153440D+01  0.166365D+01  0.417051D+00 -0.161591D+01
                66            67            68            69            70 
      1  -0.421706D+00  0.507959D-01  0.130201D+01 -0.544427D+00 -0.236077D+00
      2   0.100223D+01 -0.276068D+00  0.421947D+00  0.194531D-01 -0.389397D+01
      3  -0.957456D+00  0.541731D+00  0.162262D+00 -0.666390D+00 -0.241400D+01
                71            72            73            74            75 
      1   0.357570D+01  0.899627D+01 -0.100531D+01  0.219356D-01  0.142969D+01
      2  -0.382088D+00  0.505595D+01  0.527763D+01  0.121543D+01  0.420055D+01
      3  -0.110984D+01  0.793932D+00  0.106852D+02 -0.198376D+00 -0.275013D+00
                76            77            78            79            80 
      1  -0.193559D+01 -0.546644D+00 -0.241364D+01  0.149631D+01  0.305145D+01
      2   0.101785D+01  0.269255D+01 -0.369161D+01 -0.125192D+01 -0.164086D+01
      3   0.750375D+01  0.158451D+02 -0.190665D+01 -0.329257D+00 -0.495406D+01
                81            82            83            84            85 
      1   0.429309D+00  0.933707D-01  0.262679D+00 -0.250824D-01  0.617255D+00
      2   0.259760D+01 -0.188639D+01 -0.116281D+00  0.729828D+00  0.521329D-01
      3   0.839029D+00  0.678770D+00 -0.378211D+00  0.982231D-01  0.158197D+01
                86            87            88            89            90 
      1  -0.429253D+00 -0.162313D+01  0.343374D+00  0.405076D+01 -0.118445D+01
      2  -0.172964D+01  0.106271D+01 -0.326511D+01  0.322922D+00 -0.125006D+02
      3  -0.560829D+00  0.123810D+01  0.249777D+00  0.294137D+01 -0.717432D-01
                91            92            93            94            95 
      1  -0.880833D+00  0.208980D+00  0.538528D+00  0.168308D+00 -0.123999D+01
      2   0.136297D+01  0.274085D+00  0.337250D+00  0.591811D+00  0.221291D+00
      3  -0.331530D+00 -0.960794D+00  0.719838D+00  0.105227D+01  0.313215D+00
                96            97            98            99           100 
      1  -0.659967D+00 -0.381747D+00  0.411832D+01 -0.620005D+01  0.215617D+01
      2  -0.652885D+00 -0.449121D+01  0.298898D+00  0.472375D+01 -0.165335D+01
      3  -0.360933D+00  0.132254D+01 -0.116145D+01 -0.505050D-01  0.997428D+01
               101           102           103           104           105 
      1  -0.138701D+00 -0.209648D+01  0.869008D+00  0.440919D+01 -0.223210D+01
      2  -0.853035D+00  0.502873D+01  0.160795D+00 -0.172458D+01  0.993531D+00
      3  -0.112817D+02 -0.131967D+01 -0.181102D+01  0.140952D+02  0.231403D+01
               106           107           108           109           110 
      1  -0.147516D+01  0.361491D+01  0.164133D+01  0.166532D+01 -0.174704D+00
      2  -0.137094D+01  0.665597D+00 -0.124626D+01  0.320324D+01 -0.400005D+00
      3  -0.403166D+01  0.413418D+01  0.803669D+00  0.373418D+01  0.314581D+01
               111           112           113           114           115 
      1   0.201646D+01 -0.153988D+01  0.704012D+01 -0.115184D+01 -0.128468D+01
      2   0.114293D+01  0.466314D+00  0.342346D+01 -0.251996D+01 -0.478885D+01
      3  -0.134170D+01  0.119189D+02 -0.134622D+02 -0.345314D+01 -0.332671D+01
               116           117           118           119           120 
      1   0.262620D+01 -0.128798D+02 -0.405578D+00  0.118968D+00  0.628922D+00
      2   0.206278D+01 -0.173791D+02 -0.925780D+00 -0.346967D+00  0.188483D+01
      3  -0.385517D+01 -0.179705D+01  0.452225D+00 -0.124661D+00  0.852644D+00
               121           122           123           124           125 
      1  -0.466793D-01 -0.102696D+01 -0.712441D+00  0.332244D+00  0.356291D+01
      2  -0.115872D-01 -0.120761D+01  0.574629D-02 -0.382177D+01 -0.514726D+00
      3   0.202200D+01 -0.975623D+00  0.132122D+01  0.204092D+01  0.230098D+01
               126           127           128           129           130 
      1  -0.391990D+01 -0.100397D-01 -0.452541D+00 -0.164906D+01  0.356457D+00
      2  -0.102962D+02 -0.443045D+00 -0.155409D+01  0.570031D+01  0.527025D+00
      3  -0.280474D+00  0.573087D+01 -0.580460D+01  0.822125D+00  0.600760D+01
               131           132           133           134           135 
      1  -0.126874D-01 -0.282969D+01  0.190708D+01  0.500857D+01 -0.140575D+02
      2   0.800557D+00 -0.115945D+01 -0.123324D+01 -0.327949D+01  0.118337D+02
      3  -0.546536D+01 -0.644126D+00  0.430473D+00 -0.114665D+01  0.254670D+01
               136           137           138           139           140 
      1  -0.132351D+01  0.645126D-01 -0.359739D+00  0.666914D+00 -0.119275D+01
      2   0.193006D+01 -0.283299D-01  0.872338D+00  0.124813D+00  0.100051D+01
      3  -0.639582D+00 -0.126610D+01  0.171904D+01  0.730291D+00  0.983483D+00
               141           142           143           144           145 
      1  -0.650232D+00 -0.621360D+00  0.305976D+01 -0.915302D+01  0.307522D+01
      2  -0.213437D+00 -0.349778D+01  0.125409D+01  0.117753D+02  0.311429D+01
      3  -0.138008D+01  0.323974D+01 -0.182784D+01  0.647278D+00 -0.153036D+02
               146           147           148           149           150 
      1  -0.139207D+01  0.355724D+01 -0.111227D+01  0.131087D+01 -0.177995D+01
      2  -0.179207D+01  0.274474D+01 -0.120583D+01  0.109340D+01 -0.138977D+01
      3   0.287561D+01 -0.185908D+01  0.467792D+01 -0.243503D+01  0.167699D+00
               151           152           153           154           155 
      1   0.220870D+01 -0.112807D+01  0.641703D+00  0.139930D+01  0.806393D+00
      2   0.753288D+00 -0.129560D+01  0.605092D+00 -0.252434D+01 -0.126613D+01
      3  -0.379567D+01  0.432090D+00 -0.111547D+01 -0.100863D+02 -0.918266D+01
               156           157           158           159           160 
      1  -0.445965D+00  0.120313D+01  0.861961D+00 -0.426717D+00 -0.256117D+00
      2   0.382260D+01 -0.164271D+01 -0.167468D+01  0.290650D+01  0.199494D+01
      3   0.118671D+00 -0.780603D+01 -0.123982D+02  0.852308D+00  0.860525D+00
               161           162           163           164           165 
      1   0.873892D+00  0.367023D+00 -0.500569D+00  0.484683D+00  0.309263D+00
      2   0.938915D+00  0.727766D-03  0.473340D+00 -0.135909D+00 -0.253826D+00
      3   0.214786D+01 -0.782637D+00 -0.464339D+01  0.414354D+01  0.846749D+00
               166           167           168           169           170 
      1   0.403394D+00 -0.292539D+01 -0.371354D+01 -0.361805D+00 -0.146045D+01
      2  -0.357121D+00  0.739681D+00  0.163882D+01 -0.846986D+00  0.136501D+01
      3   0.648997D+01 -0.178182D+02 -0.167283D+01  0.196444D+01 -0.326756D+01
               171           172           173           174           175 
      1  -0.530282D+00 -0.105694D+01 -0.853400D+00 -0.162118D+01  0.975528D+00
      2   0.100143D+00 -0.412435D+01 -0.970138D+00  0.752997D+01  0.431754D+00
      3  -0.114328D+01 -0.908216D+01 -0.126045D+02  0.164491D+01 -0.807561D+01
               176           177           178           179           180 
      1   0.181974D+01 -0.330974D+01  0.220921D+01  0.384825D+01  0.236372D+00
      2  -0.147538D+01 -0.164841D+01  0.191337D+01 -0.771724D-01 -0.354444D+01
      3   0.199916D+02  0.101405D+01  0.204063D+01  0.383103D+01 -0.187295D+01
               181           182           183           184           185 
      1  -0.141678D+01  0.494943D+00  0.728815D+00  0.884461D+00 -0.491044D+01
      2  -0.134102D+01  0.521246D+00  0.143827D+01  0.416951D+00 -0.198691D+01
      3   0.193303D+01 -0.993332D+00  0.649678D+00  0.755867D+00  0.199105D+02
               186           187           188           189           190 
      1  -0.459995D+01  0.902242D+00 -0.154990D+01 -0.369226D+00  0.193082D+01
      2  -0.276492D+01  0.429096D+00 -0.284665D+01  0.234450D+00  0.332278D+01
      3   0.188438D+01  0.176312D+01  0.322430D+01  0.228624D+01 -0.133108D+00
               191           192           193           194           195 
      1  -0.493649D-01 -0.357226D-01 -0.153481D+00  0.106588D+01  0.651453D+00
      2  -0.165250D+00  0.921998D-01 -0.783055D+00  0.236918D+01  0.124093D+01
      3  -0.133251D+01 -0.142877D+01 -0.981182D+00  0.130210D+01 -0.194282D+01
               196           197           198           199           200 
      1   0.774335D+00  0.281687D+01  0.125130D+02  0.103790D+01 -0.574838D-02
      2  -0.265856D+01 -0.228759D+01  0.209626D+02 -0.205466D+01 -0.412620D-01
      3  -0.235761D+01 -0.331354D+01  0.210733D+01 -0.321711D+00  0.167083D+00
               201           202           203           204           205 
      1   0.950313D+00  0.562096D+00  0.242717D+01 -0.319270D+01 -0.294175D+01
      2  -0.759633D+00 -0.711775D+00 -0.226705D+01  0.288527D+01  0.125099D+00
      3  -0.123276D+01  0.473120D+00 -0.196852D+01  0.147832D+01 -0.284066D+01
               206           207           208           209           210 
      1  -0.405976D+01  0.159254D+02 -0.426843D+00  0.340828D+00 -0.718817D+00
      2   0.578495D+01 -0.136820D+02  0.930872D-01  0.222186D+00  0.471261D+00
      3   0.371090D+01 -0.301928D+01 -0.526240D+01  0.426991D+01  0.333156D+00
               211           212           213           214           215 
      1   0.558344D-01 -0.347103D+01  0.529456D-01 -0.607978D+00  0.927786D+00
      2  -0.358100D+00 -0.647782D+00  0.420030D+01  0.619280D-01  0.154501D+01
      3   0.529004D+01 -0.288938D+02  0.553423D+00  0.920105D+00 -0.137765D+01
               216 
      1   0.348493D-01
      2  -0.926105D+00
      3  -0.105466D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.888775D+00 -0.729834D+01 -0.668720D-02 -0.535629D+01  0.976949D+01
      2   0.246271D+01  0.970287D+01 -0.489867D+00  0.669363D+01 -0.203147D+02
      3  -0.335148D+01 -0.240453D+01  0.496555D+00 -0.133734D+01  0.105452D+02
      4  -0.432997D+01 -0.130245D+01 -0.702659D+00 -0.766092D+01  0.864871D+01
      5   0.138420D+01 -0.835851D+00 -0.177178D+00 -0.241902D+01  0.171071D+01
      6   0.390293D+00  0.145583D+01  0.618921D+00  0.243885D+01 -0.619866D+01
                 6             7             8             9            10 
      1   0.228305D+01  0.127594D+01  0.399652D+01  0.769845D+01 -0.177607D+02
      2  -0.174751D+01  0.222563D+00 -0.100020D+02  0.387374D+01  0.789850D+01
      3  -0.535542D+00 -0.149850D+01  0.600551D+01 -0.115722D+02  0.986221D+01
      4   0.222548D+01 -0.204689D+01  0.340135D+01  0.824669D-01  0.960719D+01
      5   0.456199D+00  0.164408D+01  0.124004D+01 -0.114014D+02 -0.711500D+01
      6  -0.655044D+01 -0.192430D+00 -0.189741D+01  0.213673D+02  0.321800D+00
                11            12            13            14            15 
      1   0.497684D+01 -0.185092D+01  0.976221D+01  0.698073D+01  0.126601D+01
      2  -0.156987D+01  0.362667D+01 -0.593749D+01 -0.253028D+01 -0.172521D+01
      3  -0.340697D+01 -0.177575D+01 -0.382472D+01 -0.445045D+01  0.459195D+00
      4  -0.248709D+01  0.100918D+01  0.547762D+01 -0.558577D+01 -0.194741D+01
      5   0.802389D+00 -0.297642D+01  0.273360D+01 -0.808710D+00 -0.362438D+01
      6  -0.174460D+01  0.189015D+01 -0.986270D+00  0.151776D+00  0.366933D+00
                16            17            18            19            20 
      1  -0.103093D+02  0.199154D+01  0.546525D+01 -0.558336D+01  0.736509D+00
      2   0.333392D+01 -0.199679D+01  0.713286D+01 -0.336920D+00 -0.616167D+01
      3   0.697538D+01  0.525064D-02 -0.125981D+02  0.592028D+01  0.542516D+01
      4   0.534578D+01 -0.309833D+01 -0.251898D+01 -0.550132D+01 -0.869382D+01
      5  -0.155198D+01 -0.235606D+01  0.311566D+02  0.270646D+01  0.138853D+01
      6   0.254101D+00  0.403779D+00  0.998680D+00  0.110465D+00  0.128444D+01
                21            22            23            24            25 
      1  -0.638726D+00 -0.606704D+01 -0.470126D+01 -0.162857D+01  0.238454D+01
      2  -0.186889D+01  0.374465D+00  0.349661D+01  0.172801D+00  0.741040D+00
      3   0.250762D+01  0.569258D+01  0.120465D+01  0.145577D+01 -0.312558D+01
      4   0.814858D+00 -0.994091D+01 -0.201676D+01  0.163049D+00  0.406289D+01
      5  -0.344165D+01  0.187171D+01  0.584931D+00 -0.626105D+00  0.624104D+00
      6  -0.137391D+01  0.212392D-01  0.276406D+01 -0.103240D+01 -0.817987D-01
                26            27            28            29            30 
      1   0.195038D+00  0.541194D+01 -0.100311D+02  0.983941D+01 -0.420211D+01
      2   0.175819D+01  0.876034D+01  0.364503D+01 -0.762175D+01  0.807257D+00
      3  -0.195323D+01 -0.141723D+02  0.638603D+01 -0.221767D+01  0.339485D+01
      4   0.371104D+01  0.121561D+01 -0.582625D-01 -0.803256D+01  0.306586D+01
      5   0.579726D+00 -0.109553D+02 -0.472701D+01  0.167096D+01 -0.880804D+01
      6   0.285179D+01 -0.128991D+02  0.430824D+01 -0.962984D+00  0.736140D+00
                31            32            33            34            35 
      1   0.721318D+01  0.387843D+01 -0.313084D+01 -0.243203D+01  0.197331D+00
      2  -0.488808D+01 -0.386783D+01  0.193324D-01 -0.127571D+01  0.147063D+01
      3  -0.232510D+01 -0.106002D-01  0.311150D+01  0.370774D+01 -0.166796D+01
      4  -0.657790D+01 -0.134531D+02 -0.145700D+01  0.201245D+01 -0.200875D+01
      5   0.220267D+00 -0.949465D+00 -0.438470D+01 -0.256887D+01  0.186405D+00
      6  -0.480008D+00  0.163341D+01 -0.196320D+01  0.722206D+00 -0.126618D+00
                36            37            38            39            40 
      1   0.541773D+01  0.667375D+00 -0.213735D+01 -0.119041D+01  0.196135D+00
      2   0.601485D+01  0.162732D+01  0.207953D+01 -0.363790D+00  0.760397D+00
      3  -0.114326D+02 -0.229470D+01  0.578215D-01  0.155420D+01 -0.956532D+00
      4   0.458170D+00 -0.272008D+01  0.155179D+02 -0.196165D+01  0.133208D+02
      5   0.240975D+02  0.145266D+01 -0.275489D+00  0.172963D+02 -0.128972D+01
      6  -0.990913D+01 -0.218347D+01  0.170423D+01  0.198039D+01 -0.429876D+00
                41            42            43            44            45 
      1  -0.143680D+02  0.409660D+01  0.884056D+00  0.280121D+01 -0.596420D+01
      2   0.195123D+02 -0.122977D+01 -0.195849D+01 -0.340399D+01 -0.687698D+00
      3  -0.514431D+01 -0.286683D+01  0.107443D+01  0.602788D+00  0.665190D+01
      4   0.273067D+01 -0.325534D+00 -0.675808D+01 -0.324248D+00 -0.133259D+01
      5  -0.717736D+00  0.173845D+01  0.457239D+01 -0.200255D+00  0.202789D+01
      6  -0.362092D+01  0.500396D+01 -0.881393D+00  0.637995D+01  0.106144D+01
                46            47            48            49            50 
      1  -0.849182D+01  0.313627D+01  0.450846D+01 -0.746771D+01 -0.350957D+01
      2   0.372136D+01 -0.804941D+01 -0.139753D+01 -0.824320D+00 -0.431594D+01
      3   0.477046D+01  0.491314D+01 -0.311093D+01  0.829203D+01  0.782551D+01
      4   0.247522D+01 -0.192498D+02 -0.526575D+00 -0.175533D+02 -0.369434D+01
      5   0.938123D+00 -0.631531D+00 -0.928916D+01  0.190574D+01  0.110043D+01
      6   0.212218D+00 -0.222101D+01 -0.159948D+01  0.718056D+00  0.198031D+01
                51            52            53            54            55 
      1  -0.122113D+01  0.397065D+01 -0.580696D+00  0.860532D+01 -0.418186D+01
      2  -0.413328D+00  0.144466D+01  0.622368D+01  0.791415D+01 -0.292681D+01
      3   0.163446D+01 -0.541532D+01 -0.564299D+01 -0.165195D+02  0.710867D+01
      4   0.205651D+01  0.252671D+01  0.259664D+01  0.165052D+01  0.215442D+02
      5   0.500130D+01 -0.192307D+01 -0.158964D+00 -0.267271D+02 -0.208300D+01
      6  -0.844880D+00  0.383240D+00 -0.193967D+00 -0.229861D+02  0.646510D+01
                56            57            58            59            60 
      1   0.104879D+01 -0.252467D+01  0.324606D+01 -0.310090D+02 -0.590310D+01
      2   0.422207D+01  0.421709D+00 -0.178012D+01  0.472565D+02  0.518490D+01
      3  -0.527085D+01  0.210296D+01 -0.146594D+01 -0.162475D+02  0.718197D+00
      4  -0.483912D+01  0.536732D+01  0.288020D+01 -0.137996D+02 -0.395381D+01
      5   0.101025D+01  0.346788D+01  0.142970D+01 -0.294581D+01 -0.149877D+01
      6  -0.177554D+01  0.205645D+01 -0.274110D+01  0.109508D+02  0.112142D+02
                61            62            63            64            65 
      1  -0.161855D+01 -0.934588D+01 -0.813773D+01  0.234344D-01  0.597636D+00
      2  -0.212415D+01  0.154735D+02  0.424745D+01 -0.315590D+01 -0.865759D+00
      3   0.374270D+01 -0.612760D+01  0.389028D+01  0.313247D+01  0.268123D+00
      4   0.102778D+02 -0.970546D+01 -0.178992D+01  0.890051D+00  0.209174D+01
      5   0.322268D+01 -0.353329D+01 -0.230799D+01  0.120599D+01 -0.959520D+00
      6  -0.222120D+00  0.134304D+02  0.645096D+01 -0.294598D+01 -0.503829D+00
                66            67            68            69            70 
      1   0.173384D+01  0.564935D+00 -0.414723D+01  0.258414D+01  0.191769D+01
      2  -0.631440D+00 -0.824437D+00  0.297377D+01 -0.332640D+01 -0.566586D+00
      3  -0.110240D+01  0.259502D+00  0.117346D+01  0.742266D+00 -0.135111D+01
      4  -0.250102D+01  0.193992D+01 -0.134651D+01  0.126497D+01 -0.338263D+01
      5   0.616753D+01 -0.717220D-01  0.112956D+01 -0.200319D-01  0.374324D+01
      6   0.973807D+00 -0.912425D-01 -0.355657D+01  0.637582D+01 -0.285070D+00
                71            72            73            74            75 
      1   0.479697D+01 -0.153611D+02  0.238658D+02 -0.209230D+02  0.502973D+01
      2  -0.448118D+01 -0.118180D+02 -0.130768D+02  0.107167D+02 -0.559523D+01
      3  -0.315796D+00  0.271791D+02 -0.107890D+02  0.102063D+02  0.565494D+00
      4   0.283228D+01 -0.530194D+00 -0.267182D+02  0.517189D+01 -0.707835D+00
      5  -0.113743D+01  0.100834D+02  0.959813D+01 -0.370990D+00  0.761368D+01
      6   0.609645D+01 -0.218478D+02 -0.255565D+01  0.732861D+00 -0.253633D+01
                76            77            78            79            80 
      1  -0.391699D+02 -0.616670D+01 -0.338252D+00  0.173742D+02 -0.421497D-01
      2   0.220682D+02  0.758862D+01  0.107794D+01 -0.109982D+02  0.163058D+00
      3   0.171017D+02 -0.142191D+01 -0.739691D+00 -0.637599D+01 -0.120908D+00
      4   0.532611D+01 -0.195084D+02  0.477015D+01 -0.350796D+01  0.680535D+01
      5  -0.300192D+01  0.506940D+01 -0.573605D+01  0.133707D+02 -0.394793D+01
      6   0.359997D+00 -0.195273D+01  0.512028D+01 -0.244278D+01  0.395044D+01
                81            82            83            84            85 
      1   0.356375D+01  0.284155D+01 -0.105221D+01 -0.420740D+01 -0.598419D+00
      2  -0.660965D+01 -0.412806D+01  0.518997D+00  0.257170D+01  0.210091D+00
      3   0.304590D+01  0.128651D+01  0.533215D+00  0.163570D+01  0.388329D+00
      4  -0.425854D+01 -0.101071D+01  0.103945D+01  0.161870D+00  0.135360D+01
      5   0.573167D+01 -0.437437D+01 -0.285839D+00  0.634015D+01 -0.571528D+00
      6  -0.114767D+01  0.234158D+00 -0.604707D-02  0.224002D+00 -0.113484D+01
                86            87            88            89            90 
      1  -0.362680D+01  0.252505D+00 -0.664650D+01  0.101448D+00 -0.129958D+02
      2   0.323689D+00  0.880875D+00  0.568297D+01  0.578774D+00 -0.149986D+02
      3   0.330311D+01 -0.113338D+01  0.963531D+00 -0.680222D+00  0.279943D+02
      4   0.169658D+01 -0.409454D+01  0.773256D-01 -0.492934D+01  0.116752D+01
      5  -0.413354D+01  0.233586D+01  0.715887D+01  0.147144D+01 -0.293900D+02
      6  -0.133578D+00  0.751771D+01 -0.888278D-01  0.431220D+01  0.122117D+01
                91            92            93            94            95 
      1   0.142518D+00 -0.324625D+00  0.200476D+01 -0.372145D+00 -0.192973D+01
      2  -0.259985D+01  0.642189D+00 -0.534062D+00  0.605423D+00 -0.918050D+00
      3   0.245733D+01 -0.317564D+00 -0.147070D+01 -0.233278D+00  0.284778D+01
      4  -0.205839D+00  0.228727D+01  0.142890D+01  0.278473D+01 -0.408994D-01
      5   0.168983D+01  0.127511D+00  0.547004D+01 -0.204540D+00  0.118550D+01
      6   0.164601D+01 -0.155653D+00 -0.750331D+00  0.258214D+00  0.135636D+01
                96            97            98            99           100 
      1  -0.501770D+00  0.214643D+01 -0.197135D+01 -0.154548D+02  0.237337D+02
      2   0.227862D+01 -0.172526D+01  0.291810D+01 -0.147025D+02 -0.934008D+01
      3  -0.177686D+01 -0.421174D+00 -0.946759D+00  0.301573D+02 -0.143936D+02
      4   0.142752D+01  0.245797D+01  0.263819D+01  0.239294D+00  0.207492D+02
      5  -0.856111D+00  0.465717D+01  0.273739D+00  0.110222D+02 -0.376194D+01
      6   0.588605D+01  0.507083D+00  0.418311D+01  0.127996D+02 -0.264931D+01
               101           102           103           104           105 
      1  -0.533988D+01 -0.194657D+01 -0.976442D+00  0.165451D+02  0.376097D+01
      2   0.133526D+02  0.311041D+01  0.613237D+01 -0.171706D+02 -0.395955D+01
      3  -0.801277D+01 -0.116384D+01 -0.515593D+01  0.625420D+00  0.198576D+00
      4   0.223759D+02 -0.193582D+01  0.177486D+02 -0.876124D+00 -0.273426D+01
      5  -0.376996D+00  0.888975D+01 -0.575381D+00 -0.426416D+01  0.136942D+01
      6  -0.864292D-02  0.349052D+01  0.137847D-01 -0.567052D+01  0.489798D+01
               106           107           108           109           110 
      1  -0.508593D+01  0.497749D+01  0.239892D+00 -0.958928D+01 -0.116108D+02
      2   0.195944D+01 -0.866126D+01 -0.293478D+01  0.780087D+01  0.532343D+01
      3   0.312649D+01  0.368377D+01  0.269489D+01  0.178840D+01  0.628738D+01
      4  -0.626941D+01 -0.776969D+01  0.397831D+01 -0.135356D+02  0.194472D+01
      5   0.795018D+01  0.248524D+01 -0.212512D+01  0.123652D+02 -0.224427D+01
      6   0.495592D+01  0.502741D+01 -0.308787D+01 -0.701044D+01  0.365596D+01
               111           112           113           114           115 
      1   0.407538D+01 -0.248050D+02  0.100959D+02  0.248574D+01  0.187733D+02
      2  -0.532815D+01  0.190050D+02 -0.270605D+02 -0.635469D+01 -0.815400D+01
      3   0.125277D+01  0.580008D+01  0.169646D+02  0.386895D+01 -0.106193D+02
      4  -0.507558D+01 -0.580784D+01  0.314667D+02  0.576992D+01 -0.177500D+01
      5  -0.127936D+01  0.143956D+01  0.595647D+01 -0.478767D+01 -0.190437D+01
      6  -0.361218D+01  0.547332D+00 -0.371065D+01  0.667814D+00  0.645881D+00
               116           117           118           119           120 
      1   0.177430D+01  0.136809D+02  0.252262D+01 -0.162610D+01 -0.197908D+01
      2  -0.508843D+01  0.720160D+01 -0.376974D+01  0.896930D+00  0.141080D+01
      3   0.331413D+01 -0.208825D+02  0.124712D+01  0.729172D+00  0.568277D+00
      4   0.748338D+01  0.408391D+01 -0.235663D+01  0.248160D+01  0.897406D+00
      5   0.374056D+01 -0.368001D+02 -0.274332D+01 -0.183100D+00  0.790206D+01
      6  -0.177357D+01  0.167689D+02  0.103355D+01  0.110955D+00 -0.807693D+00
               121           122           123           124           125 
      1  -0.142933D+01 -0.364609D+01 -0.708327D+00 -0.451985D+01 -0.116685D+01
      2   0.478873D+00  0.109335D+01  0.135756D+01  0.555432D+01  0.736490D+00
      3   0.950460D+00  0.255273D+01 -0.649231D+00 -0.103447D+01  0.430362D+00
      4   0.273635D+01  0.381868D+00 -0.195223D+01  0.291470D+01 -0.252948D+01
      5  -0.922056D-02 -0.269060D+01  0.578213D+00  0.660301D+01 -0.116686D+01
      6  -0.540416D+00  0.152626D+01  0.677037D+01 -0.118108D+01  0.478020D+01
               126           127           128           129           130 
      1  -0.154964D+02  0.171776D+02  0.207074D+01  0.425361D+00  0.537227D+01
      2  -0.130814D+02 -0.198227D+00  0.954016D+01  0.427408D+00  0.666095D+01
      3   0.285778D+02 -0.169793D+02 -0.116109D+02 -0.852769D+00 -0.120332D+02
      4  -0.125217D+01  0.243918D+02  0.279350D+02 -0.467660D+00  0.267182D+02
      5  -0.196717D+02 -0.174495D+01 -0.752813D+00  0.764133D+01  0.361918D+00
      6   0.990986D+01 -0.252910D+00 -0.978902D+00  0.380386D+01  0.882309D+00
               131           132           133           134           135 
      1  -0.626333D+01 -0.125788D+01 -0.268588D+00 -0.415747D+01  0.603376D+01
      2   0.267144D+02  0.192127D+01  0.865588D+00  0.379119D+01 -0.225431D+01
      3  -0.204511D+02 -0.663386D+00 -0.597000D+00  0.366275D+00 -0.377945D+01
      4   0.300357D+02  0.181126D+01  0.405604D+01  0.601373D+01 -0.210277D+01
      5   0.149511D+01 -0.123760D+01  0.410391D+01 -0.279526D+01  0.201999D+02
      6   0.175702D+01  0.295314D+01  0.740480D+00 -0.112817D+01  0.244382D+02
               136           137           138           139           140 
      1   0.127838D+00  0.569721D+00  0.336110D+01 -0.324193D+00 -0.298072D+01
      2  -0.254344D+01  0.452365D-01 -0.144237D+01  0.110064D+01  0.128633D+01
      3   0.241560D+01 -0.614957D+00 -0.191873D+01 -0.776449D+00  0.169439D+01
      4   0.136823D+01  0.392236D+01  0.278942D+01  0.399939D+01  0.152919D+01
      5   0.358276D+01  0.667512D+00  0.718322D+01 -0.305172D+00  0.239737D+01
      6   0.324073D+01 -0.173181D+00  0.483630D+00  0.101421D+00  0.331852D+01
               141           142           143           144           145 
      1  -0.182427D+01  0.273458D+01 -0.410467D+01 -0.165863D+02  0.107698D+02
      2   0.321472D+01 -0.320410D+01  0.236634D+01 -0.130150D+02  0.545403D+01
      3  -0.139046D+01  0.469515D+00  0.173833D+01  0.296013D+02 -0.162238D+02
      4   0.189938D+01  0.534996D+01  0.512865D+01  0.293953D+01 -0.323694D+02
      5  -0.634273D+00  0.744307D+01  0.332061D+01  0.221992D+02 -0.416970D-02
      6   0.672312D+01  0.276843D+01  0.760117D+01  0.224578D+02 -0.316243D+01
               146           147           148           149           150 
      1   0.526862D-01  0.190045D+01 -0.628066D+00 -0.238494D+01  0.324389D+00
      2  -0.126921D+02  0.447836D+00 -0.694173D+01  0.116313D+02 -0.151634D+01
      3   0.126394D+02 -0.234829D+01  0.756979D+01 -0.924634D+01  0.119195D+01
      4   0.230935D+02 -0.293814D+01  0.152684D+02 -0.135660D+02  0.160232D+01
      5   0.285228D+00  0.327128D+01  0.203006D+00  0.474321D+00 -0.186758D+01
      6   0.650913D+00 -0.549280D+01  0.100889D+01 -0.125030D+01  0.304475D+01
               151           152           153           154           155 
      1   0.158305D+01  0.108467D+01 -0.466866D+00  0.458268D+02  0.150836D+02
      2   0.129310D+01 -0.381390D+01  0.951639D+00 -0.250705D+02 -0.858663D+01
      3  -0.287615D+01  0.272923D+01 -0.484773D+00 -0.207563D+02 -0.649695D+01
      4  -0.662834D+01  0.459860D+01 -0.480451D+01  0.121845D+02  0.119484D+02
      5   0.400026D+01 -0.245999D+01  0.969553D+00  0.582604D+00  0.913099D-01
      6  -0.440300D+01  0.488667D+01 -0.106679D+01  0.119868D+01  0.100235D+01
               156           157           158           159           160 
      1  -0.986757D+00  0.297562D+02  0.123601D+02  0.112362D+00 -0.558083D+01
      2  -0.533763D-01 -0.167852D+02 -0.554860D+01 -0.620429D+00  0.315470D+01
      3   0.104013D+01 -0.129710D+02 -0.681151D+01  0.508067D+00  0.242613D+01
      4  -0.226480D+00  0.132804D+02  0.137808D+02 -0.113045D+01 -0.108257D+01
      5   0.629891D+01  0.118985D+01 -0.112032D+01  0.440542D+01  0.766981D+01
      6   0.667125D-01  0.115308D+01  0.102147D+01  0.233735D+00  0.617359D+00
               161           162           163           164           165 
      1  -0.140631D+01  0.445354D+01 -0.134622D+01  0.548429D+01  0.666805D+00
      2   0.680680D+00 -0.407391D+01  0.270689D+01 -0.630650D+01 -0.716907D+00
      3   0.725631D+00 -0.379636D+00 -0.136067D+01  0.822208D+00  0.501022D-01
      4  -0.205673D+01  0.181780D+01 -0.796859D+00  0.644026D+00  0.622727D+00
      5   0.217454D+01  0.163251D+00  0.497968D+00 -0.203530D+00 -0.200618D+00
      6   0.136389D+01 -0.441920D+00  0.111365D+01 -0.330506D+00 -0.161983D+00
               166           167           168           169           170 
      1   0.448567D+01 -0.257224D+02 -0.168470D+01  0.123239D+01 -0.427524D+01
      2  -0.757871D+00  0.427381D+02  0.305821D+01 -0.742697D+00  0.602108D+01
      3  -0.372780D+01 -0.170157D+02 -0.137351D+01 -0.489689D+00 -0.174584D+01
      4   0.687410D+01  0.231273D+02  0.144411D+01  0.118821D+01  0.363343D+01
      5  -0.166828D+00  0.246762D+01  0.312303D+01  0.140060D+01  0.263597D+01
      6  -0.114941D+00  0.322636D+01  0.521742D+01  0.715561D+00  0.658120D+01
               171           172           173           174           175 
      1  -0.364674D+01  0.726954D+02  0.284741D+01 -0.641196D+01  0.280347D+01
      2   0.337701D+01 -0.420759D+02 -0.984045D+00  0.721808D+01 -0.332125D+01
      3   0.269725D+00 -0.306195D+02 -0.186337D+01 -0.806115D+00  0.517782D+00
      4   0.252656D+01 -0.424534D+01  0.129831D+02  0.218167D+01  0.190801D+02
      5   0.219614D+00 -0.122520D+02  0.808759D+00  0.136264D+02  0.405336D+00
      6   0.131885D+01  0.319680D+01 -0.163103D+01  0.109710D+01 -0.114767D+01
               176           177           178           179           180 
      1   0.113690D+02  0.222423D+01 -0.197928D+02 -0.569740D+00  0.798553D+01
      2  -0.197597D+01  0.812732D+00  0.123295D+02 -0.109063D+00 -0.111272D+02
      3  -0.939306D+01 -0.303696D+01  0.746337D+01  0.678803D+00  0.314168D+01
      4  -0.270458D+02 -0.390850D+01  0.106864D+01 -0.502054D+01 -0.158985D+01
      5  -0.422811D+01 -0.312246D+01  0.191818D+02  0.392620D+00 -0.766303D+01
      6   0.147260D+01  0.659298D+01 -0.233726D+01  0.343684D+01 -0.115718D+00
               181           182           183           184           185 
      1   0.340634D+01 -0.588794D+01 -0.268095D+01 -0.561454D+01 -0.173448D+02
      2   0.259146D+01  0.112543D+01  0.874009D+00 -0.414174D+01  0.419904D+02
      3  -0.599780D+01  0.476251D+01  0.180694D+01  0.975629D+01 -0.246456D+02
      4  -0.838191D+01  0.103737D+02  0.141506D+01  0.187077D+02 -0.470471D+02
      5  -0.240600D+01  0.364903D+00  0.254777D+01  0.158025D+00 -0.311243D+01
      6   0.158865D+01 -0.403727D+00 -0.904914D+00  0.161670D+00  0.171249D+01
               186           187           188           189           190 
      1  -0.164454D+01 -0.473304D+01 -0.287618D+01 -0.341928D+01  0.104575D+01
      2   0.389417D+01  0.113960D+01  0.624756D+01  0.276365D+01 -0.389467D+01
      3  -0.224963D+01  0.359344D+01 -0.337138D+01  0.655622D+00  0.284892D+01
      4  -0.346393D+01  0.416375D+01 -0.796847D+01 -0.611177D+01  0.680864D+00
      5  -0.545616D+01  0.341430D+01 -0.616577D+01  0.714822D+00  0.604393D+01
      6   0.635389D+01 -0.192519D+01  0.724019D+01  0.160282D+01 -0.191187D+01
               191           192           193           194           195 
      1   0.123691D+01  0.707380D+01  0.479082D+01 -0.395452D+01  0.788293D+00
      2  -0.111540D+01 -0.353233D+01 -0.371239D+01  0.307579D+01 -0.245098D+01
      3  -0.121514D+00 -0.354147D+01 -0.107843D+01  0.878726D+00  0.166268D+01
      4   0.150454D+01 -0.209017D+01  0.136957D+01 -0.412751D+01  0.417540D+01
      5  -0.630616D+00  0.587607D+01  0.126088D+00  0.451211D+01  0.275066D+01
      6  -0.548117D+00  0.451689D+00  0.485940D+00 -0.159746D+01  0.411233D+01
               196           197           198           199           200 
      1   0.923416D+01  0.313423D+01 -0.182009D+02  0.155447D+01  0.260836D+01
      2  -0.712031D+01 -0.186143D+01 -0.135398D+02 -0.128728D+01 -0.158380D+01
      3  -0.211386D+01 -0.127280D+01  0.317408D+02 -0.267187D+00 -0.102456D+01
      4  -0.455427D+01  0.654500D+01 -0.592047D+01  0.228927D+01  0.164347D+01
      5   0.100564D+02 -0.589480D+01  0.439035D+02 -0.206278D+01 -0.556841D+00
      6  -0.265761D+01  0.773475D+01 -0.197577D+02 -0.226216D+01  0.960041D+00
               201           202           203           204           205 
      1  -0.361959D+01  0.650699D+00 -0.504327D+01  0.264501D+01 -0.416140D+01
      2   0.172759D+01  0.784874D+00  0.739192D+01 -0.451481D+01  0.132202D+01
      3   0.189200D+01 -0.143557D+01 -0.234865D+01  0.186980D+01  0.283937D+01
      4  -0.206586D+01  0.294622D+01  0.515442D+01 -0.369533D+01 -0.898601D+01
      5   0.706328D+00 -0.111786D+01 -0.332600D+01  0.459756D+01  0.629045D+01
      6  -0.194559D+01 -0.140605D+01 -0.580793D+01  0.757960D+01  0.519349D+01
               206           207           208           209           210 
      1   0.704001D+01 -0.105957D+02  0.661222D+00  0.738304D+01  0.104287D+01
      2  -0.831403D+01  0.190047D+01  0.101270D+01 -0.336527D+01 -0.477894D+00
      3   0.127403D+01  0.869527D+01 -0.167392D+01 -0.401776D+01 -0.564973D+00
      4  -0.113086D+02  0.985810D+01  0.715360D+01 -0.729703D+00 -0.270678D+00
      5   0.969306D+01 -0.237223D+02  0.909311D+00 -0.625820D+00  0.101110D+01
      6   0.143084D+02 -0.288319D+02 -0.126144D+00 -0.113816D+00  0.131185D+01
               211           212           213           214           215 
      1   0.232315D+02 -0.194980D+01 -0.183601D+01  0.184946D+01 -0.450314D+00
      2  -0.134883D+02  0.212799D+01  0.169808D+01 -0.962236D+00  0.446749D+00
      3  -0.974322D+01 -0.178191D+00  0.137932D+00 -0.887221D+00  0.356411D-02
      4  -0.104620D+01  0.346599D+02 -0.264514D+00 -0.511108D+00  0.133196D+01
      5  -0.231188D+01  0.213354D+00  0.749578D+01  0.406627D+01  0.272664D+01
      6   0.604188D+00 -0.108801D+01 -0.110378D+01  0.298788D+00  0.217484D+01
               216 
      1   0.101162D+01
      2  -0.205326D+01
      3   0.104164D+01
      4   0.219398D+01
      5  -0.204256D+01
      6  -0.197621D-01
 Leave Link  716 at Thu Aug 12 23:04:04 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113225D+03  0.110397D+01 -0.317445D+00
      2   0.110397D+01  0.101624D+03 -0.171585D+01
      3  -0.317445D+00 -0.171585D+01  0.851374D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.187130D+01 -0.454222D+01  0.657615D+01
      2  -0.383460D+01 -0.409613D-01  0.449202D+01
      3  -0.656079D+01 -0.111253D+02  0.149392D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.280944D+02 -0.123954D+02 -0.175245D+02
      2  -0.233031D+02  0.138018D+02  0.116521D+02
      3  -0.479132D+01 -0.140641D+01  0.587237D+01
      4  -0.204447D+02 -0.823420D+01 -0.112144D+01
      5  -0.794346D+01 -0.276623D+01  0.720714D+01
      6  -0.196993D+00  0.138567D+02 -0.122698D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.274112D+01  0.210413D+01 -0.802798D+00  0.147261D+01  0.219983D+01
      2   0.210413D+01  0.206650D+01  0.185944D+00  0.219983D+01 -0.351065D+01
      3  -0.802798D+00  0.185944D+00 -0.576268D+00  0.270627D+00 -0.118189D+01
                 6             7             8             9            10 
      1   0.270627D+00 -0.101576D+01  0.520680D+00 -0.469355D+00  0.306388D+01
      2  -0.118189D+01  0.520680D+00 -0.203113D+01 -0.607518D+00 -0.179358D+01
      3   0.626352D+00 -0.469355D+00 -0.607518D+00  0.827128D+01  0.117731D+01
                11            12            13            14            15 
      1  -0.179358D+01  0.117731D+01 -0.250155D+01 -0.213504D+01 -0.496716D+00
      2  -0.148176D+01 -0.245898D+00 -0.213504D+01  0.177839D+01  0.781055D+00
      3  -0.245898D+00 -0.104107D+01 -0.496716D+00  0.781055D+00  0.126137D+01
                16            17            18            19            20 
      1   0.181413D+01 -0.732989D+00  0.353251D+00  0.148990D+01 -0.222139D+01
      2  -0.732989D+00  0.982994D+00  0.528761D+00 -0.222139D+01 -0.190146D+01
      3   0.353251D+00  0.528761D+00 -0.867368D+01  0.919703D+00  0.135324D+00
                21            22            23            24            25 
      1   0.919703D+00 -0.329187D+01 -0.278114D+01  0.902827D-01  0.177263D+01
      2   0.135324D+00 -0.278114D+01  0.246535D+01  0.893698D+00  0.232665D+00
      3   0.863544D+00  0.902827D-01  0.893698D+00  0.126880D+01  0.138373D+00
                26            27            28            29            30 
      1   0.232665D+00  0.138373D+00 -0.166923D+00  0.342057D+01 -0.117858D+01
      2   0.170023D+01  0.583688D+00  0.342057D+01  0.143181D+01  0.563047D-01
      3   0.583688D+00 -0.788694D+01 -0.117858D+01  0.563047D-01 -0.101889D+01
                31            32            33            34            35 
      1   0.366879D+01  0.270678D+01  0.684617D-01 -0.140551D+01  0.221648D+00
      2   0.270678D+01 -0.336605D+01 -0.953667D+00  0.221648D+00 -0.161047D+01
      3   0.684617D-01 -0.953667D+00 -0.723486D+00 -0.450606D+00 -0.349640D-01
                36            37            38            39            40 
      1  -0.450606D+00  0.213571D+01 -0.297647D+01  0.672877D+00 -0.423236D+01
      2  -0.349640D-01 -0.297647D+01 -0.367364D+00 -0.484019D+00 -0.973723D+00
      3   0.837966D+01  0.672877D+00 -0.484019D+00  0.655605D-01 -0.816843D-01
                41            42            43            44            45 
      1  -0.973723D+00 -0.816843D-01  0.294054D+01  0.244044D+00  0.210333D+00
      2  -0.321923D+01  0.963513D+00  0.244044D+00  0.127887D+01 -0.706675D+00
      3   0.963513D+00  0.579925D+00  0.210333D+00 -0.706675D+00 -0.132631D+01
                46            47            48            49            50 
      1  -0.411736D+01  0.724506D+00 -0.403881D+00  0.299215D+01  0.210451D+01
      2   0.724506D+00  0.187339D+01  0.819585D+00  0.210451D+01 -0.170697D+01
      3  -0.403881D+00  0.819585D+00 -0.488066D+00  0.730055D-01 -0.689857D+00
                51            52            53            54            55 
      1   0.730055D-01 -0.150366D+01  0.266058D+00  0.138408D-01  0.431780D+01
      2  -0.689857D+00  0.266058D+00 -0.137615D+01 -0.581494D-01 -0.916247D+00
      3  -0.218977D+01  0.138408D-01 -0.581494D-01  0.859852D+01  0.128976D+01
                56            57            58            59            60 
      1  -0.916247D+00  0.128976D+01 -0.278122D+00 -0.155910D+00 -0.294314D+00
      2   0.166858D+01 -0.170125D+00 -0.155910D+00  0.782497D+01  0.139383D+01
      3  -0.170125D+00  0.840429D+00 -0.294314D+00  0.139383D+01 -0.210647D+00
                61            62            63            64            65 
      1   0.197217D+01 -0.998768D+00  0.873601D-01  0.467115D+00 -0.329323D+00
      2  -0.998768D+00  0.330290D+01  0.151574D+01 -0.329323D+00 -0.333165D+00
      3   0.873601D-01  0.151574D+01  0.300928D+00 -0.883852D+00 -0.225099D-01
                66            67            68            69            70 
      1  -0.883852D+00 -0.192275D+00 -0.332006D+00  0.220334D-02 -0.167330D+01
      2  -0.225099D-01 -0.332006D+00  0.778564D+00 -0.103541D+01  0.111847D+00
      3   0.186979D+00  0.220334D-02 -0.103541D+01  0.325163D+00 -0.130266D-01
                71            72            73            74            75 
      1   0.111847D+00 -0.130266D-01 -0.400453D+01  0.336139D+01 -0.114231D+01
      2  -0.185218D+01  0.834893D+00  0.336139D+01  0.755879D+00 -0.903329D-01
      3   0.834893D+00 -0.749421D+01 -0.114231D+01 -0.903329D-01  0.904278D+00
                76            77            78            79            80 
      1   0.635967D+01 -0.329305D+00  0.337815D+00 -0.311220D+01  0.239285D+00
      2  -0.329305D+00  0.334792D+01 -0.908178D+00  0.239285D+00 -0.110899D+01
      3   0.337815D+00 -0.908178D+00  0.587528D+00 -0.127712D+01  0.481454D+00
                81            82            83            84            85 
      1  -0.127712D+01 -0.698594D+00  0.340073D+00  0.100891D+01  0.235689D+00
      2   0.481454D+00  0.340073D+00  0.252132D+00  0.464760D-01  0.245663D+00
      3  -0.242615D+00  0.100891D+01  0.464760D-01 -0.254745D+00  0.892650D-01
                86            87            88            89            90 
      1   0.245663D+00  0.892650D-01  0.201180D+01  0.114059D+00 -0.793029D+00
      2  -0.486852D+00  0.100326D+01  0.114059D+00  0.155362D+01 -0.279098D+00
      3   0.100326D+01 -0.602970D+00 -0.793029D+00 -0.279098D+00  0.770954D+01
                91            92            93            94            95 
      1  -0.277887D+00  0.211457D+00  0.978208D+00  0.291754D+00  0.451970D+00
      2   0.211457D+00  0.425981D+00  0.573136D-01  0.451970D+00 -0.414999D+00
      3   0.978208D+00  0.573136D-01 -0.971054D-01  0.616724D-01  0.856657D+00
                96            97            98            99           100 
      1   0.616724D-01  0.182381D+01  0.267550D-02  0.327260D+00  0.622266D+01
      2   0.856657D+00  0.267550D-02  0.164290D+01  0.161453D+00  0.195968D+01
      3  -0.334039D+00  0.327260D+00  0.161453D+00  0.737422D+01 -0.829517D+00
               101           102           103           104           105 
      1   0.195968D+01 -0.829517D+00  0.980202D+00  0.318348D+01  0.132351D+00
      2   0.379140D+01  0.127001D+00  0.318348D+01 -0.295027D+01 -0.100423D+01
      3   0.127001D+00 -0.886685D-01  0.132351D+00 -0.100423D+01 -0.823881D+00
               106           107           108           109           110 
      1  -0.187928D+01 -0.505946D+00  0.105678D+01  0.131493D+01 -0.304653D+01
      2  -0.505946D+00 -0.221680D+01  0.467786D+00 -0.304653D+01  0.568593D+00
      3   0.105678D+01  0.467786D+00 -0.117640D+00  0.187642D+01 -0.385914D+00
               111           112           113           114           115 
      1   0.187642D+01 -0.295050D+01 -0.174576D+01  0.376575D-01  0.297959D+01
      2  -0.385914D+00 -0.174576D+01  0.654931D+01  0.137477D+01  0.445179D-01
      3   0.116638D+01  0.376575D-01  0.137477D+01 -0.470204D+00 -0.194902D+00
               116           117           118           119           120 
      1   0.445179D-01 -0.194902D+00  0.894995D+00 -0.582077D+00 -0.100518D+01
      2   0.139386D+01  0.738339D+00 -0.582077D+00 -0.584605D-01 -0.422208D-01
      3   0.738339D+00 -0.788657D+01 -0.100518D+01 -0.422208D-01  0.691807D+00
               121           122           123           124           125 
      1  -0.631488D+00 -0.912084D-01 -0.658473D-01 -0.233480D+01 -0.936768D-01
      2  -0.912084D-01  0.237833D+00 -0.931556D+00 -0.936768D-01 -0.134591D+01
      3  -0.658473D-01 -0.931556D+00 -0.611448D-01  0.885504D+00 -0.477074D+00
               126           127           128           129           130 
      1   0.885504D+00 -0.418947D+01 -0.263078D+01  0.133831D+00 -0.279568D+01
      2  -0.477074D+00 -0.263078D+01 -0.287868D+01 -0.142338D-01 -0.289488D+01
      3  -0.753477D+01  0.133831D+00 -0.142338D-01  0.525469D-01 -0.375182D+00
               131           132           133           134           135 
      1  -0.289488D+01 -0.375182D+00 -0.696267D+00 -0.801391D+00  0.258196D-01
      2  -0.532639D+01 -0.501627D+00 -0.801391D+00 -0.176931D+01  0.980749D+00
      3  -0.501627D+00  0.132241D+01  0.258196D-01  0.980749D+00 -0.543255D+01
               136           137           138           139           140 
      1  -0.534737D-02 -0.385297D+00 -0.114052D+01 -0.434959D+00 -0.553748D+00
      2  -0.385297D+00 -0.413584D+00 -0.763046D-01 -0.553748D+00 -0.319227D+00
      3  -0.114052D+01 -0.763046D-01 -0.176179D+00  0.835001D-01 -0.926971D+00
               141           142           143           144           145 
      1   0.835001D-01 -0.220120D+01 -0.340346D+00 -0.936912D+00 -0.571935D+01
      2  -0.926971D+00 -0.340346D+00 -0.152791D+01 -0.117841D+01  0.316953D+01
      3  -0.822974D-01 -0.936912D+00 -0.117841D+01 -0.799128D+01 -0.505689D+00
               146           147           148           149           150 
      1   0.316953D+01 -0.505689D+00  0.219327D+01 -0.180207D+01  0.152837D+00
      2  -0.355317D+01  0.600898D-01 -0.180207D+01  0.260168D+01 -0.263126D+00
      3   0.600898D-01 -0.109993D+01  0.152837D+00 -0.263126D+00  0.686540D+00
               151           152           153           154           155 
      1  -0.118924D+01  0.605275D+00 -0.758443D+00 -0.660123D+01 -0.205212D+01
      2   0.605275D+00 -0.954238D+00  0.742403D+00 -0.205212D+01 -0.199393D+01
      3  -0.758443D+00  0.742403D+00 -0.147952D+00  0.545125D-02  0.390554D-01
               156           157           158           159           160 
      1   0.545125D-02 -0.441342D+01 -0.191796D+01 -0.167497D+00  0.810079D+00
      2   0.390554D-01 -0.191796D+01 -0.240135D+01  0.205603D+00  0.170046D+00
      3  -0.103667D+01 -0.167497D+00  0.205603D+00 -0.665494D+00 -0.954695D+00
               161           162           163           164           165 
      1   0.170046D+00 -0.954695D+00 -0.488774D+00  0.646423D+00  0.216269D+00
      2   0.368272D+00 -0.236418D+00  0.646423D+00 -0.100452D+01 -0.246661D-01
      3  -0.236418D+00 -0.634852D-01  0.216269D+00 -0.246661D-01  0.498827D-01
               166           167           168           169           170 
      1   0.208138D+01  0.533564D+00 -0.103862D+00  0.508555D+00 -0.183499D-01
      2   0.533564D+00  0.832003D+01  0.497439D+00 -0.183499D-01  0.125193D+01
      3  -0.103862D+00  0.497439D+00  0.116037D+01  0.208890D+00  0.949740D+00
               171           172           173           174           175 
      1   0.208890D+00  0.866680D+01  0.772248D+00 -0.150856D+01 -0.647969D-02
      2   0.949740D+00  0.772248D+00  0.935648D+00  0.143966D+00  0.255500D+01
      3   0.138614D+00 -0.150856D+01  0.143966D+00  0.158573D+00  0.192690D+00
               176           177           178           179           180 
      1   0.255500D+01  0.192690D+00 -0.288069D+01 -0.192840D+00  0.176043D+01
      2  -0.451639D+01 -0.563252D+00 -0.192840D+00 -0.643909D+00  0.465090D-01
      3  -0.563252D+00 -0.979797D+00  0.176043D+01  0.465090D-01 -0.592158D+00
               181           182           183           184           185 
      1   0.737458D+00 -0.107560D+01 -0.506978D+00 -0.229884D+01  0.231308D+01
      2  -0.107560D+01  0.611240D+00  0.764582D-01  0.231308D+01 -0.918229D+01
      3  -0.506978D+00  0.764582D-01  0.268677D+00  0.719068D-01 -0.741920D+00
               186           187           188           189           190 
      1   0.719068D-01 -0.115102D+01  0.384624D+00  0.441130D+00  0.518097D-01
      2  -0.741920D+00  0.384624D+00 -0.157304D+01 -0.119294D+01  0.270663D+00
      3  -0.100360D+01  0.441130D+00 -0.119294D+01  0.119151D+00  0.106184D+01
               191           192           193           194           195 
      1   0.270663D+00  0.106184D+01  0.822615D+00  0.225888D+00  0.758466D-02
      2   0.399795D-01  0.386458D-01  0.225888D+00 -0.740017D+00  0.891404D+00
      3   0.386458D-01 -0.101380D+00  0.758466D-02  0.891404D+00  0.521445D+00
               196           197           198           199           200 
      1   0.216286D+01 -0.276622D+00  0.980457D+00 -0.523796D+00 -0.259064D+00
      2  -0.276622D+00  0.141434D+01 -0.109003D+01 -0.259064D+00  0.663723D-01
      3   0.980457D+00 -0.109003D+01  0.870249D+01  0.438624D+00 -0.148412D+00
               201           202           203           204           205 
      1   0.438624D+00 -0.367949D+00 -0.310089D+00  0.216842D+00  0.195256D+01
      2  -0.148412D+00 -0.310089D+00 -0.149789D+01  0.917745D+00  0.965805D+00
      3   0.306634D+00  0.216842D+00  0.917745D+00 -0.121820D+01 -0.114374D+01
               206           207           208           209           210 
      1   0.965805D+00 -0.114374D+01  0.171319D+00  0.128782D+01  0.128654D+00
      2   0.279836D+01 -0.252065D+01  0.128782D+01 -0.501415D+00 -0.815279D-01
      3  -0.252065D+01  0.608230D+01  0.128654D+00 -0.815279D-01  0.423683D+00
               211           212           213           214           215 
      1   0.329736D+01 -0.496930D+00 -0.303601D+00  0.294232D+00 -0.162302D+00
      2  -0.496930D+00  0.573450D+01 -0.772883D-01 -0.162302D+00  0.321752D+00
      3  -0.303601D+00 -0.772883D-01  0.102564D+01  0.502398D+00  0.350417D+00
               216 
      1   0.502398D+00
      2   0.350417D+00
      3  -0.286536D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.115532D+01  0.245985D-02 -0.361270D+00 -0.132677D+01  0.219617D+01
      2   0.942543D+00  0.138535D+00  0.127081D+01  0.582833D+00  0.161113D+01
      3  -0.111734D+01  0.442766D+00 -0.947272D+00  0.577746D+01 -0.738763D+00
                 6             7             8             9            10 
      1   0.611898D+00  0.622366D+00  0.390863D+01 -0.836100D+01 -0.667773D+00
      2   0.202426D+00 -0.281386D+01 -0.736900D-01 -0.518836D+01 -0.250771D+01
      3  -0.210364D+00 -0.521008D+00 -0.146935D+01 -0.101198D+01 -0.259694D+01
                11            12            13            14            15 
      1  -0.168596D+01 -0.666803D+00 -0.432851D+00 -0.152884D+01 -0.154482D+01
      2  -0.267104D+00  0.470367D+00  0.388291D+00 -0.137924D+01 -0.187255D+01
      3  -0.513318D+01 -0.138681D+00  0.742400D+00  0.249964D+01  0.237395D+01
                16            17            18            19            20 
      1  -0.108003D+01  0.220493D+01 -0.607559D+00 -0.180544D+01 -0.595544D-01
      2  -0.361646D+01 -0.108546D+01  0.121095D+02 -0.109764D+00  0.105001D+01
      3  -0.787169D+00  0.171507D+01  0.105938D+01  0.227330D+01 -0.409499D+01
                21            22            23            24            25 
      1   0.469351D+00 -0.959752D+00 -0.139335D+01 -0.728831D+00  0.287358D+00
      2   0.191608D+00  0.579707D+00  0.932719D+00 -0.355409D-01 -0.412698D+01
      3   0.263122D+00  0.225436D+01 -0.390929D+01 -0.142589D+01  0.173027D+01
                26            27            28            29            30 
      1   0.211779D+01  0.536301D+01 -0.169793D+01  0.477808D+00  0.101486D+01
      2   0.466885D+00 -0.458634D+01 -0.164824D+01  0.109664D+01 -0.261965D+01
      3  -0.898631D+00 -0.394359D+00 -0.556146D+01 -0.787730D+01  0.397475D+00
                31            32            33            34            35 
      1  -0.706034D+00  0.169184D+00 -0.296708D+00 -0.224676D+00  0.338265D+01
      2  -0.433140D+00 -0.108858D+01 -0.274164D+01 -0.534880D+01  0.736342D+00
      3  -0.410046D+01  0.539985D+01  0.198746D+01  0.922203D+00  0.903125D+00
                36            37            38            39            40 
      1   0.406891D+01  0.204130D+01 -0.348221D-01 -0.112410D+01  0.416134D+00
      2   0.135143D+02  0.444650D+00  0.111369D+00  0.103076D+02 -0.206381D+00
      3   0.455298D+00 -0.413627D+01 -0.113464D+01 -0.151561D+01  0.177161D+02
                41            42            43            44            45 
      1   0.807205D+00 -0.443432D+01  0.179689D+01  0.211426D+01 -0.855587D-01
      2  -0.922370D-01  0.564649D+00 -0.655555D+01 -0.139342D+01  0.108820D+01
      3   0.221002D+01 -0.399112D-01 -0.471866D+01 -0.630534D+00 -0.293931D+00
                46            47            48            49            50 
      1  -0.539152D+00  0.295681D-01 -0.592560D+00 -0.962106D+00 -0.833126D-01
      2   0.130486D+01  0.387387D+00 -0.403064D+01 -0.125962D-01  0.210062D+01
      3   0.771311D+01  0.331381D+01  0.842384D+00 -0.888339D-01 -0.225620D+01
                51            52            53            54            55 
      1  -0.117439D+01 -0.177723D+01  0.303455D+01  0.926307D+01 -0.390953D+01
      2   0.341276D+01 -0.405350D+01 -0.102812D+01 -0.140146D+02 -0.339463D+01
      3  -0.181389D+01  0.181509D+01 -0.186303D+01 -0.314190D+00  0.150698D+02
                56            57            58            59            60 
      1   0.157168D+01 -0.152495D+01  0.210511D+01 -0.379098D+01 -0.587077D+01
      2   0.255848D+01  0.998945D+00  0.658097D+00 -0.213336D+01 -0.442920D+00
      3  -0.519207D+01  0.256768D+01  0.394813D+01  0.872153D+01  0.175667D+00
                61            62            63            64            65 
      1  -0.107762D+01  0.111692D+01 -0.299166D+01  0.109150D+01 -0.385667D-01
      2  -0.426295D+01 -0.890148D-01 -0.108096D+01  0.984824D+00 -0.496677D+00
      3   0.582257D+01  0.153440D+01  0.166365D+01  0.417051D+00 -0.161591D+01
                66            67            68            69            70 
      1  -0.421706D+00  0.507959D-01  0.130201D+01 -0.544427D+00 -0.236077D+00
      2   0.100223D+01 -0.276068D+00  0.421947D+00  0.194531D-01 -0.389397D+01
      3  -0.957456D+00  0.541731D+00  0.162262D+00 -0.666390D+00 -0.241400D+01
                71            72            73            74            75 
      1   0.357570D+01  0.899627D+01 -0.100531D+01  0.219356D-01  0.142969D+01
      2  -0.382088D+00  0.505595D+01  0.527763D+01  0.121543D+01  0.420055D+01
      3  -0.110984D+01  0.793932D+00  0.106852D+02 -0.198376D+00 -0.275013D+00
                76            77            78            79            80 
      1  -0.193559D+01 -0.546644D+00 -0.241364D+01  0.149631D+01  0.305145D+01
      2   0.101785D+01  0.269255D+01 -0.369161D+01 -0.125192D+01 -0.164086D+01
      3   0.750375D+01  0.158451D+02 -0.190665D+01 -0.329257D+00 -0.495406D+01
                81            82            83            84            85 
      1   0.429309D+00  0.933707D-01  0.262679D+00 -0.250824D-01  0.617255D+00
      2   0.259760D+01 -0.188639D+01 -0.116281D+00  0.729828D+00  0.521329D-01
      3   0.839029D+00  0.678770D+00 -0.378211D+00  0.982231D-01  0.158197D+01
                86            87            88            89            90 
      1  -0.429253D+00 -0.162313D+01  0.343374D+00  0.405076D+01 -0.118445D+01
      2  -0.172964D+01  0.106271D+01 -0.326511D+01  0.322922D+00 -0.125006D+02
      3  -0.560829D+00  0.123810D+01  0.249777D+00  0.294137D+01 -0.717432D-01
                91            92            93            94            95 
      1  -0.880833D+00  0.208980D+00  0.538528D+00  0.168308D+00 -0.123999D+01
      2   0.136297D+01  0.274085D+00  0.337250D+00  0.591811D+00  0.221291D+00
      3  -0.331530D+00 -0.960794D+00  0.719838D+00  0.105227D+01  0.313215D+00
                96            97            98            99           100 
      1  -0.659967D+00 -0.381747D+00  0.411832D+01 -0.620005D+01  0.215617D+01
      2  -0.652885D+00 -0.449121D+01  0.298898D+00  0.472375D+01 -0.165335D+01
      3  -0.360933D+00  0.132254D+01 -0.116145D+01 -0.505050D-01  0.997428D+01
               101           102           103           104           105 
      1  -0.138701D+00 -0.209648D+01  0.869008D+00  0.440919D+01 -0.223210D+01
      2  -0.853035D+00  0.502873D+01  0.160795D+00 -0.172458D+01  0.993531D+00
      3  -0.112817D+02 -0.131967D+01 -0.181102D+01  0.140952D+02  0.231403D+01
               106           107           108           109           110 
      1  -0.147516D+01  0.361491D+01  0.164133D+01  0.166532D+01 -0.174704D+00
      2  -0.137094D+01  0.665597D+00 -0.124626D+01  0.320324D+01 -0.400005D+00
      3  -0.403166D+01  0.413418D+01  0.803669D+00  0.373418D+01  0.314581D+01
               111           112           113           114           115 
      1   0.201646D+01 -0.153988D+01  0.704012D+01 -0.115184D+01 -0.128468D+01
      2   0.114293D+01  0.466314D+00  0.342346D+01 -0.251996D+01 -0.478885D+01
      3  -0.134170D+01  0.119189D+02 -0.134622D+02 -0.345314D+01 -0.332671D+01
               116           117           118           119           120 
      1   0.262620D+01 -0.128798D+02 -0.405578D+00  0.118968D+00  0.628922D+00
      2   0.206278D+01 -0.173791D+02 -0.925780D+00 -0.346967D+00  0.188483D+01
      3  -0.385517D+01 -0.179705D+01  0.452225D+00 -0.124661D+00  0.852644D+00
               121           122           123           124           125 
      1  -0.466793D-01 -0.102696D+01 -0.712441D+00  0.332244D+00  0.356291D+01
      2  -0.115872D-01 -0.120761D+01  0.574629D-02 -0.382177D+01 -0.514726D+00
      3   0.202200D+01 -0.975623D+00  0.132122D+01  0.204092D+01  0.230098D+01
               126           127           128           129           130 
      1  -0.391990D+01 -0.100397D-01 -0.452541D+00 -0.164906D+01  0.356457D+00
      2  -0.102962D+02 -0.443045D+00 -0.155409D+01  0.570031D+01  0.527025D+00
      3  -0.280474D+00  0.573087D+01 -0.580460D+01  0.822125D+00  0.600760D+01
               131           132           133           134           135 
      1  -0.126874D-01 -0.282969D+01  0.190708D+01  0.500857D+01 -0.140575D+02
      2   0.800557D+00 -0.115945D+01 -0.123324D+01 -0.327949D+01  0.118337D+02
      3  -0.546536D+01 -0.644126D+00  0.430473D+00 -0.114665D+01  0.254670D+01
               136           137           138           139           140 
      1  -0.132351D+01  0.645126D-01 -0.359739D+00  0.666914D+00 -0.119275D+01
      2   0.193006D+01 -0.283299D-01  0.872338D+00  0.124813D+00  0.100051D+01
      3  -0.639582D+00 -0.126610D+01  0.171904D+01  0.730291D+00  0.983483D+00
               141           142           143           144           145 
      1  -0.650232D+00 -0.621360D+00  0.305976D+01 -0.915302D+01  0.307522D+01
      2  -0.213437D+00 -0.349778D+01  0.125409D+01  0.117753D+02  0.311429D+01
      3  -0.138008D+01  0.323974D+01 -0.182784D+01  0.647278D+00 -0.153036D+02
               146           147           148           149           150 
      1  -0.139207D+01  0.355724D+01 -0.111227D+01  0.131087D+01 -0.177995D+01
      2  -0.179207D+01  0.274474D+01 -0.120583D+01  0.109340D+01 -0.138977D+01
      3   0.287561D+01 -0.185908D+01  0.467792D+01 -0.243503D+01  0.167699D+00
               151           152           153           154           155 
      1   0.220870D+01 -0.112807D+01  0.641703D+00  0.139930D+01  0.806393D+00
      2   0.753288D+00 -0.129560D+01  0.605092D+00 -0.252434D+01 -0.126613D+01
      3  -0.379567D+01  0.432090D+00 -0.111547D+01 -0.100863D+02 -0.918266D+01
               156           157           158           159           160 
      1  -0.445965D+00  0.120313D+01  0.861961D+00 -0.426717D+00 -0.256117D+00
      2   0.382260D+01 -0.164271D+01 -0.167468D+01  0.290650D+01  0.199494D+01
      3   0.118671D+00 -0.780603D+01 -0.123982D+02  0.852308D+00  0.860525D+00
               161           162           163           164           165 
      1   0.873892D+00  0.367023D+00 -0.500569D+00  0.484683D+00  0.309263D+00
      2   0.938915D+00  0.727766D-03  0.473340D+00 -0.135909D+00 -0.253826D+00
      3   0.214786D+01 -0.782637D+00 -0.464339D+01  0.414354D+01  0.846749D+00
               166           167           168           169           170 
      1   0.403394D+00 -0.292539D+01 -0.371354D+01 -0.361805D+00 -0.146045D+01
      2  -0.357121D+00  0.739681D+00  0.163882D+01 -0.846986D+00  0.136501D+01
      3   0.648997D+01 -0.178182D+02 -0.167283D+01  0.196444D+01 -0.326756D+01
               171           172           173           174           175 
      1  -0.530282D+00 -0.105694D+01 -0.853400D+00 -0.162118D+01  0.975528D+00
      2   0.100143D+00 -0.412435D+01 -0.970138D+00  0.752997D+01  0.431754D+00
      3  -0.114328D+01 -0.908216D+01 -0.126045D+02  0.164491D+01 -0.807561D+01
               176           177           178           179           180 
      1   0.181974D+01 -0.330974D+01  0.220921D+01  0.384825D+01  0.236372D+00
      2  -0.147538D+01 -0.164841D+01  0.191337D+01 -0.771724D-01 -0.354444D+01
      3   0.199916D+02  0.101405D+01  0.204063D+01  0.383103D+01 -0.187295D+01
               181           182           183           184           185 
      1  -0.141678D+01  0.494943D+00  0.728815D+00  0.884461D+00 -0.491044D+01
      2  -0.134102D+01  0.521246D+00  0.143827D+01  0.416951D+00 -0.198691D+01
      3   0.193303D+01 -0.993332D+00  0.649678D+00  0.755867D+00  0.199105D+02
               186           187           188           189           190 
      1  -0.459995D+01  0.902242D+00 -0.154990D+01 -0.369226D+00  0.193082D+01
      2  -0.276492D+01  0.429096D+00 -0.284665D+01  0.234450D+00  0.332278D+01
      3   0.188438D+01  0.176312D+01  0.322430D+01  0.228624D+01 -0.133108D+00
               191           192           193           194           195 
      1  -0.493649D-01 -0.357226D-01 -0.153481D+00  0.106588D+01  0.651453D+00
      2  -0.165250D+00  0.921998D-01 -0.783055D+00  0.236918D+01  0.124093D+01
      3  -0.133251D+01 -0.142877D+01 -0.981182D+00  0.130210D+01 -0.194282D+01
               196           197           198           199           200 
      1   0.774335D+00  0.281687D+01  0.125130D+02  0.103790D+01 -0.574838D-02
      2  -0.265856D+01 -0.228759D+01  0.209626D+02 -0.205466D+01 -0.412620D-01
      3  -0.235761D+01 -0.331354D+01  0.210733D+01 -0.321711D+00  0.167083D+00
               201           202           203           204           205 
      1   0.950313D+00  0.562096D+00  0.242717D+01 -0.319270D+01 -0.294175D+01
      2  -0.759633D+00 -0.711775D+00 -0.226705D+01  0.288527D+01  0.125099D+00
      3  -0.123276D+01  0.473120D+00 -0.196852D+01  0.147832D+01 -0.284066D+01
               206           207           208           209           210 
      1  -0.405976D+01  0.159254D+02 -0.426843D+00  0.340828D+00 -0.718817D+00
      2   0.578495D+01 -0.136820D+02  0.930872D-01  0.222186D+00  0.471261D+00
      3   0.371090D+01 -0.301928D+01 -0.526240D+01  0.426991D+01  0.333156D+00
               211           212           213           214           215 
      1   0.558344D-01 -0.347103D+01  0.529456D-01 -0.607978D+00  0.927786D+00
      2  -0.358100D+00 -0.647782D+00  0.420030D+01  0.619280D-01  0.154501D+01
      3   0.529004D+01 -0.288938D+02  0.553423D+00  0.920105D+00 -0.137765D+01
               216 
      1   0.348493D-01
      2  -0.926105D+00
      3  -0.105466D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.888775D+00 -0.729834D+01 -0.668720D-02 -0.535629D+01  0.976949D+01
      2   0.246271D+01  0.970287D+01 -0.489867D+00  0.669363D+01 -0.203147D+02
      3  -0.335148D+01 -0.240453D+01  0.496555D+00 -0.133734D+01  0.105452D+02
      4  -0.432997D+01 -0.130245D+01 -0.702659D+00 -0.766092D+01  0.864871D+01
      5   0.138420D+01 -0.835851D+00 -0.177178D+00 -0.241902D+01  0.171071D+01
      6   0.390293D+00  0.145583D+01  0.618921D+00  0.243885D+01 -0.619866D+01
                 6             7             8             9            10 
      1   0.228305D+01  0.127594D+01  0.399652D+01  0.769845D+01 -0.177607D+02
      2  -0.174751D+01  0.222563D+00 -0.100020D+02  0.387374D+01  0.789850D+01
      3  -0.535542D+00 -0.149850D+01  0.600551D+01 -0.115722D+02  0.986221D+01
      4   0.222548D+01 -0.204689D+01  0.340135D+01  0.824669D-01  0.960719D+01
      5   0.456199D+00  0.164408D+01  0.124004D+01 -0.114014D+02 -0.711500D+01
      6  -0.655044D+01 -0.192430D+00 -0.189741D+01  0.213673D+02  0.321800D+00
                11            12            13            14            15 
      1   0.497684D+01 -0.185092D+01  0.976221D+01  0.698073D+01  0.126601D+01
      2  -0.156987D+01  0.362667D+01 -0.593749D+01 -0.253028D+01 -0.172521D+01
      3  -0.340697D+01 -0.177575D+01 -0.382472D+01 -0.445045D+01  0.459195D+00
      4  -0.248709D+01  0.100918D+01  0.547762D+01 -0.558577D+01 -0.194741D+01
      5   0.802389D+00 -0.297642D+01  0.273360D+01 -0.808710D+00 -0.362438D+01
      6  -0.174460D+01  0.189015D+01 -0.986270D+00  0.151776D+00  0.366933D+00
                16            17            18            19            20 
      1  -0.103093D+02  0.199154D+01  0.546525D+01 -0.558336D+01  0.736509D+00
      2   0.333392D+01 -0.199679D+01  0.713286D+01 -0.336920D+00 -0.616167D+01
      3   0.697538D+01  0.525064D-02 -0.125981D+02  0.592028D+01  0.542516D+01
      4   0.534578D+01 -0.309833D+01 -0.251898D+01 -0.550132D+01 -0.869382D+01
      5  -0.155198D+01 -0.235606D+01  0.311566D+02  0.270646D+01  0.138853D+01
      6   0.254101D+00  0.403779D+00  0.998680D+00  0.110465D+00  0.128444D+01
                21            22            23            24            25 
      1  -0.638726D+00 -0.606704D+01 -0.470126D+01 -0.162857D+01  0.238454D+01
      2  -0.186889D+01  0.374465D+00  0.349661D+01  0.172801D+00  0.741040D+00
      3   0.250762D+01  0.569258D+01  0.120465D+01  0.145577D+01 -0.312558D+01
      4   0.814858D+00 -0.994091D+01 -0.201676D+01  0.163049D+00  0.406289D+01
      5  -0.344165D+01  0.187171D+01  0.584931D+00 -0.626105D+00  0.624104D+00
      6  -0.137391D+01  0.212392D-01  0.276406D+01 -0.103240D+01 -0.817987D-01
                26            27            28            29            30 
      1   0.195038D+00  0.541194D+01 -0.100311D+02  0.983941D+01 -0.420211D+01
      2   0.175819D+01  0.876034D+01  0.364503D+01 -0.762175D+01  0.807257D+00
      3  -0.195323D+01 -0.141723D+02  0.638603D+01 -0.221767D+01  0.339485D+01
      4   0.371104D+01  0.121561D+01 -0.582625D-01 -0.803256D+01  0.306586D+01
      5   0.579726D+00 -0.109553D+02 -0.472701D+01  0.167096D+01 -0.880804D+01
      6   0.285179D+01 -0.128991D+02  0.430824D+01 -0.962984D+00  0.736140D+00
                31            32            33            34            35 
      1   0.721318D+01  0.387843D+01 -0.313084D+01 -0.243203D+01  0.197331D+00
      2  -0.488808D+01 -0.386783D+01  0.193324D-01 -0.127571D+01  0.147063D+01
      3  -0.232510D+01 -0.106002D-01  0.311150D+01  0.370774D+01 -0.166796D+01
      4  -0.657790D+01 -0.134531D+02 -0.145700D+01  0.201245D+01 -0.200875D+01
      5   0.220267D+00 -0.949465D+00 -0.438470D+01 -0.256887D+01  0.186405D+00
      6  -0.480008D+00  0.163341D+01 -0.196320D+01  0.722206D+00 -0.126618D+00
                36            37            38            39            40 
      1   0.541773D+01  0.667375D+00 -0.213735D+01 -0.119041D+01  0.196135D+00
      2   0.601485D+01  0.162732D+01  0.207953D+01 -0.363790D+00  0.760397D+00
      3  -0.114326D+02 -0.229470D+01  0.578215D-01  0.155420D+01 -0.956532D+00
      4   0.458170D+00 -0.272008D+01  0.155179D+02 -0.196165D+01  0.133208D+02
      5   0.240975D+02  0.145266D+01 -0.275489D+00  0.172963D+02 -0.128972D+01
      6  -0.990913D+01 -0.218347D+01  0.170423D+01  0.198039D+01 -0.429876D+00
                41            42            43            44            45 
      1  -0.143680D+02  0.409660D+01  0.884056D+00  0.280121D+01 -0.596420D+01
      2   0.195123D+02 -0.122977D+01 -0.195849D+01 -0.340399D+01 -0.687698D+00
      3  -0.514431D+01 -0.286683D+01  0.107443D+01  0.602788D+00  0.665190D+01
      4   0.273067D+01 -0.325534D+00 -0.675808D+01 -0.324248D+00 -0.133259D+01
      5  -0.717736D+00  0.173845D+01  0.457239D+01 -0.200255D+00  0.202789D+01
      6  -0.362092D+01  0.500396D+01 -0.881393D+00  0.637995D+01  0.106144D+01
                46            47            48            49            50 
      1  -0.849182D+01  0.313627D+01  0.450846D+01 -0.746771D+01 -0.350957D+01
      2   0.372136D+01 -0.804941D+01 -0.139753D+01 -0.824320D+00 -0.431594D+01
      3   0.477046D+01  0.491314D+01 -0.311093D+01  0.829203D+01  0.782551D+01
      4   0.247522D+01 -0.192498D+02 -0.526575D+00 -0.175533D+02 -0.369434D+01
      5   0.938123D+00 -0.631531D+00 -0.928916D+01  0.190574D+01  0.110043D+01
      6   0.212218D+00 -0.222101D+01 -0.159948D+01  0.718056D+00  0.198031D+01
                51            52            53            54            55 
      1  -0.122113D+01  0.397065D+01 -0.580696D+00  0.860532D+01 -0.418186D+01
      2  -0.413328D+00  0.144466D+01  0.622368D+01  0.791415D+01 -0.292681D+01
      3   0.163446D+01 -0.541532D+01 -0.564299D+01 -0.165195D+02  0.710867D+01
      4   0.205651D+01  0.252671D+01  0.259664D+01  0.165052D+01  0.215442D+02
      5   0.500130D+01 -0.192307D+01 -0.158964D+00 -0.267271D+02 -0.208300D+01
      6  -0.844880D+00  0.383240D+00 -0.193967D+00 -0.229861D+02  0.646510D+01
                56            57            58            59            60 
      1   0.104879D+01 -0.252467D+01  0.324606D+01 -0.310090D+02 -0.590310D+01
      2   0.422207D+01  0.421709D+00 -0.178012D+01  0.472565D+02  0.518490D+01
      3  -0.527085D+01  0.210296D+01 -0.146594D+01 -0.162475D+02  0.718197D+00
      4  -0.483912D+01  0.536732D+01  0.288020D+01 -0.137996D+02 -0.395381D+01
      5   0.101025D+01  0.346788D+01  0.142970D+01 -0.294581D+01 -0.149877D+01
      6  -0.177554D+01  0.205645D+01 -0.274110D+01  0.109508D+02  0.112142D+02
                61            62            63            64            65 
      1  -0.161855D+01 -0.934588D+01 -0.813773D+01  0.234344D-01  0.597636D+00
      2  -0.212415D+01  0.154735D+02  0.424745D+01 -0.315590D+01 -0.865759D+00
      3   0.374270D+01 -0.612760D+01  0.389028D+01  0.313247D+01  0.268123D+00
      4   0.102778D+02 -0.970546D+01 -0.178992D+01  0.890051D+00  0.209174D+01
      5   0.322268D+01 -0.353329D+01 -0.230799D+01  0.120599D+01 -0.959520D+00
      6  -0.222120D+00  0.134304D+02  0.645096D+01 -0.294598D+01 -0.503829D+00
                66            67            68            69            70 
      1   0.173384D+01  0.564935D+00 -0.414723D+01  0.258414D+01  0.191769D+01
      2  -0.631440D+00 -0.824437D+00  0.297377D+01 -0.332640D+01 -0.566586D+00
      3  -0.110240D+01  0.259502D+00  0.117346D+01  0.742266D+00 -0.135111D+01
      4  -0.250102D+01  0.193992D+01 -0.134651D+01  0.126497D+01 -0.338263D+01
      5   0.616753D+01 -0.717220D-01  0.112956D+01 -0.200319D-01  0.374324D+01
      6   0.973807D+00 -0.912425D-01 -0.355657D+01  0.637582D+01 -0.285070D+00
                71            72            73            74            75 
      1   0.479697D+01 -0.153611D+02  0.238658D+02 -0.209230D+02  0.502973D+01
      2  -0.448118D+01 -0.118180D+02 -0.130768D+02  0.107167D+02 -0.559523D+01
      3  -0.315796D+00  0.271791D+02 -0.107890D+02  0.102063D+02  0.565494D+00
      4   0.283228D+01 -0.530194D+00 -0.267182D+02  0.517189D+01 -0.707835D+00
      5  -0.113743D+01  0.100834D+02  0.959813D+01 -0.370990D+00  0.761368D+01
      6   0.609645D+01 -0.218478D+02 -0.255565D+01  0.732861D+00 -0.253633D+01
                76            77            78            79            80 
      1  -0.391699D+02 -0.616670D+01 -0.338252D+00  0.173742D+02 -0.421497D-01
      2   0.220682D+02  0.758862D+01  0.107794D+01 -0.109982D+02  0.163058D+00
      3   0.171017D+02 -0.142191D+01 -0.739691D+00 -0.637599D+01 -0.120908D+00
      4   0.532611D+01 -0.195084D+02  0.477015D+01 -0.350796D+01  0.680535D+01
      5  -0.300192D+01  0.506940D+01 -0.573605D+01  0.133707D+02 -0.394793D+01
      6   0.359997D+00 -0.195273D+01  0.512028D+01 -0.244278D+01  0.395044D+01
                81            82            83            84            85 
      1   0.356375D+01  0.284155D+01 -0.105221D+01 -0.420740D+01 -0.598419D+00
      2  -0.660965D+01 -0.412806D+01  0.518997D+00  0.257170D+01  0.210091D+00
      3   0.304590D+01  0.128651D+01  0.533215D+00  0.163570D+01  0.388329D+00
      4  -0.425854D+01 -0.101071D+01  0.103945D+01  0.161870D+00  0.135360D+01
      5   0.573167D+01 -0.437437D+01 -0.285839D+00  0.634015D+01 -0.571528D+00
      6  -0.114767D+01  0.234158D+00 -0.604707D-02  0.224002D+00 -0.113484D+01
                86            87            88            89            90 
      1  -0.362680D+01  0.252505D+00 -0.664650D+01  0.101448D+00 -0.129958D+02
      2   0.323689D+00  0.880875D+00  0.568297D+01  0.578774D+00 -0.149986D+02
      3   0.330311D+01 -0.113338D+01  0.963531D+00 -0.680222D+00  0.279943D+02
      4   0.169658D+01 -0.409454D+01  0.773256D-01 -0.492934D+01  0.116752D+01
      5  -0.413354D+01  0.233586D+01  0.715887D+01  0.147144D+01 -0.293900D+02
      6  -0.133578D+00  0.751771D+01 -0.888278D-01  0.431220D+01  0.122117D+01
                91            92            93            94            95 
      1   0.142518D+00 -0.324625D+00  0.200476D+01 -0.372145D+00 -0.192973D+01
      2  -0.259985D+01  0.642189D+00 -0.534062D+00  0.605423D+00 -0.918050D+00
      3   0.245733D+01 -0.317564D+00 -0.147070D+01 -0.233278D+00  0.284778D+01
      4  -0.205839D+00  0.228727D+01  0.142890D+01  0.278473D+01 -0.408994D-01
      5   0.168983D+01  0.127511D+00  0.547004D+01 -0.204540D+00  0.118550D+01
      6   0.164601D+01 -0.155653D+00 -0.750331D+00  0.258214D+00  0.135636D+01
                96            97            98            99           100 
      1  -0.501770D+00  0.214643D+01 -0.197135D+01 -0.154548D+02  0.237337D+02
      2   0.227862D+01 -0.172526D+01  0.291810D+01 -0.147025D+02 -0.934008D+01
      3  -0.177686D+01 -0.421174D+00 -0.946759D+00  0.301573D+02 -0.143936D+02
      4   0.142752D+01  0.245797D+01  0.263819D+01  0.239294D+00  0.207492D+02
      5  -0.856111D+00  0.465717D+01  0.273739D+00  0.110222D+02 -0.376194D+01
      6   0.588605D+01  0.507083D+00  0.418311D+01  0.127996D+02 -0.264931D+01
               101           102           103           104           105 
      1  -0.533988D+01 -0.194657D+01 -0.976442D+00  0.165451D+02  0.376097D+01
      2   0.133526D+02  0.311041D+01  0.613237D+01 -0.171706D+02 -0.395955D+01
      3  -0.801277D+01 -0.116384D+01 -0.515593D+01  0.625420D+00  0.198576D+00
      4   0.223759D+02 -0.193582D+01  0.177486D+02 -0.876124D+00 -0.273426D+01
      5  -0.376996D+00  0.888975D+01 -0.575381D+00 -0.426416D+01  0.136942D+01
      6  -0.864292D-02  0.349052D+01  0.137847D-01 -0.567052D+01  0.489798D+01
               106           107           108           109           110 
      1  -0.508593D+01  0.497749D+01  0.239892D+00 -0.958928D+01 -0.116108D+02
      2   0.195944D+01 -0.866126D+01 -0.293478D+01  0.780087D+01  0.532343D+01
      3   0.312649D+01  0.368377D+01  0.269489D+01  0.178840D+01  0.628738D+01
      4  -0.626941D+01 -0.776969D+01  0.397831D+01 -0.135356D+02  0.194472D+01
      5   0.795018D+01  0.248524D+01 -0.212512D+01  0.123652D+02 -0.224427D+01
      6   0.495592D+01  0.502741D+01 -0.308787D+01 -0.701044D+01  0.365596D+01
               111           112           113           114           115 
      1   0.407538D+01 -0.248050D+02  0.100959D+02  0.248574D+01  0.187733D+02
      2  -0.532815D+01  0.190050D+02 -0.270605D+02 -0.635469D+01 -0.815400D+01
      3   0.125277D+01  0.580008D+01  0.169646D+02  0.386895D+01 -0.106193D+02
      4  -0.507558D+01 -0.580784D+01  0.314667D+02  0.576992D+01 -0.177500D+01
      5  -0.127936D+01  0.143956D+01  0.595647D+01 -0.478767D+01 -0.190437D+01
      6  -0.361218D+01  0.547332D+00 -0.371065D+01  0.667814D+00  0.645881D+00
               116           117           118           119           120 
      1   0.177430D+01  0.136809D+02  0.252262D+01 -0.162610D+01 -0.197908D+01
      2  -0.508843D+01  0.720160D+01 -0.376974D+01  0.896930D+00  0.141080D+01
      3   0.331413D+01 -0.208825D+02  0.124712D+01  0.729172D+00  0.568277D+00
      4   0.748338D+01  0.408391D+01 -0.235663D+01  0.248160D+01  0.897406D+00
      5   0.374056D+01 -0.368001D+02 -0.274332D+01 -0.183100D+00  0.790206D+01
      6  -0.177357D+01  0.167689D+02  0.103355D+01  0.110955D+00 -0.807693D+00
               121           122           123           124           125 
      1  -0.142933D+01 -0.364609D+01 -0.708327D+00 -0.451985D+01 -0.116685D+01
      2   0.478873D+00  0.109335D+01  0.135756D+01  0.555432D+01  0.736490D+00
      3   0.950460D+00  0.255273D+01 -0.649231D+00 -0.103447D+01  0.430362D+00
      4   0.273635D+01  0.381868D+00 -0.195223D+01  0.291470D+01 -0.252948D+01
      5  -0.922056D-02 -0.269060D+01  0.578213D+00  0.660301D+01 -0.116686D+01
      6  -0.540416D+00  0.152626D+01  0.677037D+01 -0.118108D+01  0.478020D+01
               126           127           128           129           130 
      1  -0.154964D+02  0.171776D+02  0.207074D+01  0.425361D+00  0.537227D+01
      2  -0.130814D+02 -0.198227D+00  0.954016D+01  0.427408D+00  0.666095D+01
      3   0.285778D+02 -0.169793D+02 -0.116109D+02 -0.852769D+00 -0.120332D+02
      4  -0.125217D+01  0.243918D+02  0.279350D+02 -0.467660D+00  0.267182D+02
      5  -0.196717D+02 -0.174495D+01 -0.752813D+00  0.764133D+01  0.361918D+00
      6   0.990986D+01 -0.252910D+00 -0.978902D+00  0.380386D+01  0.882309D+00
               131           132           133           134           135 
      1  -0.626333D+01 -0.125788D+01 -0.268588D+00 -0.415747D+01  0.603376D+01
      2   0.267144D+02  0.192127D+01  0.865588D+00  0.379119D+01 -0.225431D+01
      3  -0.204511D+02 -0.663386D+00 -0.597000D+00  0.366275D+00 -0.377945D+01
      4   0.300357D+02  0.181126D+01  0.405604D+01  0.601373D+01 -0.210277D+01
      5   0.149511D+01 -0.123760D+01  0.410391D+01 -0.279526D+01  0.201999D+02
      6   0.175702D+01  0.295314D+01  0.740480D+00 -0.112817D+01  0.244382D+02
               136           137           138           139           140 
      1   0.127838D+00  0.569721D+00  0.336110D+01 -0.324193D+00 -0.298072D+01
      2  -0.254344D+01  0.452365D-01 -0.144237D+01  0.110064D+01  0.128633D+01
      3   0.241560D+01 -0.614957D+00 -0.191873D+01 -0.776449D+00  0.169439D+01
      4   0.136823D+01  0.392236D+01  0.278942D+01  0.399939D+01  0.152919D+01
      5   0.358276D+01  0.667512D+00  0.718322D+01 -0.305172D+00  0.239737D+01
      6   0.324073D+01 -0.173181D+00  0.483630D+00  0.101421D+00  0.331852D+01
               141           142           143           144           145 
      1  -0.182427D+01  0.273458D+01 -0.410467D+01 -0.165863D+02  0.107698D+02
      2   0.321472D+01 -0.320410D+01  0.236634D+01 -0.130150D+02  0.545403D+01
      3  -0.139046D+01  0.469515D+00  0.173833D+01  0.296013D+02 -0.162238D+02
      4   0.189938D+01  0.534996D+01  0.512865D+01  0.293953D+01 -0.323694D+02
      5  -0.634273D+00  0.744307D+01  0.332061D+01  0.221992D+02 -0.416970D-02
      6   0.672312D+01  0.276843D+01  0.760117D+01  0.224578D+02 -0.316243D+01
               146           147           148           149           150 
      1   0.526862D-01  0.190045D+01 -0.628066D+00 -0.238494D+01  0.324389D+00
      2  -0.126921D+02  0.447836D+00 -0.694173D+01  0.116313D+02 -0.151634D+01
      3   0.126394D+02 -0.234829D+01  0.756979D+01 -0.924634D+01  0.119195D+01
      4   0.230935D+02 -0.293814D+01  0.152684D+02 -0.135660D+02  0.160232D+01
      5   0.285228D+00  0.327128D+01  0.203006D+00  0.474321D+00 -0.186758D+01
      6   0.650913D+00 -0.549280D+01  0.100889D+01 -0.125030D+01  0.304475D+01
               151           152           153           154           155 
      1   0.158305D+01  0.108467D+01 -0.466866D+00  0.458268D+02  0.150836D+02
      2   0.129310D+01 -0.381390D+01  0.951639D+00 -0.250705D+02 -0.858663D+01
      3  -0.287615D+01  0.272923D+01 -0.484773D+00 -0.207563D+02 -0.649695D+01
      4  -0.662834D+01  0.459860D+01 -0.480451D+01  0.121845D+02  0.119484D+02
      5   0.400026D+01 -0.245999D+01  0.969553D+00  0.582604D+00  0.913099D-01
      6  -0.440300D+01  0.488667D+01 -0.106679D+01  0.119868D+01  0.100235D+01
               156           157           158           159           160 
      1  -0.986757D+00  0.297562D+02  0.123601D+02  0.112362D+00 -0.558083D+01
      2  -0.533763D-01 -0.167852D+02 -0.554860D+01 -0.620429D+00  0.315470D+01
      3   0.104013D+01 -0.129710D+02 -0.681151D+01  0.508067D+00  0.242613D+01
      4  -0.226480D+00  0.132804D+02  0.137808D+02 -0.113045D+01 -0.108257D+01
      5   0.629891D+01  0.118985D+01 -0.112032D+01  0.440542D+01  0.766981D+01
      6   0.667125D-01  0.115308D+01  0.102147D+01  0.233735D+00  0.617359D+00
               161           162           163           164           165 
      1  -0.140631D+01  0.445354D+01 -0.134622D+01  0.548429D+01  0.666805D+00
      2   0.680680D+00 -0.407391D+01  0.270689D+01 -0.630650D+01 -0.716907D+00
      3   0.725631D+00 -0.379636D+00 -0.136067D+01  0.822208D+00  0.501022D-01
      4  -0.205673D+01  0.181780D+01 -0.796859D+00  0.644026D+00  0.622727D+00
      5   0.217454D+01  0.163251D+00  0.497968D+00 -0.203530D+00 -0.200618D+00
      6   0.136389D+01 -0.441920D+00  0.111365D+01 -0.330506D+00 -0.161983D+00
               166           167           168           169           170 
      1   0.448567D+01 -0.257224D+02 -0.168470D+01  0.123239D+01 -0.427524D+01
      2  -0.757871D+00  0.427381D+02  0.305821D+01 -0.742697D+00  0.602108D+01
      3  -0.372780D+01 -0.170157D+02 -0.137351D+01 -0.489689D+00 -0.174584D+01
      4   0.687410D+01  0.231273D+02  0.144411D+01  0.118821D+01  0.363343D+01
      5  -0.166828D+00  0.246762D+01  0.312303D+01  0.140060D+01  0.263597D+01
      6  -0.114941D+00  0.322636D+01  0.521742D+01  0.715561D+00  0.658120D+01
               171           172           173           174           175 
      1  -0.364674D+01  0.726954D+02  0.284741D+01 -0.641196D+01  0.280347D+01
      2   0.337701D+01 -0.420759D+02 -0.984045D+00  0.721808D+01 -0.332125D+01
      3   0.269725D+00 -0.306195D+02 -0.186337D+01 -0.806115D+00  0.517782D+00
      4   0.252656D+01 -0.424534D+01  0.129831D+02  0.218167D+01  0.190801D+02
      5   0.219614D+00 -0.122520D+02  0.808759D+00  0.136264D+02  0.405336D+00
      6   0.131885D+01  0.319680D+01 -0.163103D+01  0.109710D+01 -0.114767D+01
               176           177           178           179           180 
      1   0.113690D+02  0.222423D+01 -0.197928D+02 -0.569740D+00  0.798553D+01
      2  -0.197597D+01  0.812732D+00  0.123295D+02 -0.109063D+00 -0.111272D+02
      3  -0.939306D+01 -0.303696D+01  0.746337D+01  0.678803D+00  0.314168D+01
      4  -0.270458D+02 -0.390850D+01  0.106864D+01 -0.502054D+01 -0.158985D+01
      5  -0.422811D+01 -0.312246D+01  0.191818D+02  0.392620D+00 -0.766303D+01
      6   0.147260D+01  0.659298D+01 -0.233726D+01  0.343684D+01 -0.115718D+00
               181           182           183           184           185 
      1   0.340634D+01 -0.588794D+01 -0.268095D+01 -0.561454D+01 -0.173448D+02
      2   0.259146D+01  0.112543D+01  0.874009D+00 -0.414174D+01  0.419904D+02
      3  -0.599780D+01  0.476251D+01  0.180694D+01  0.975629D+01 -0.246456D+02
      4  -0.838191D+01  0.103737D+02  0.141506D+01  0.187077D+02 -0.470471D+02
      5  -0.240600D+01  0.364903D+00  0.254777D+01  0.158025D+00 -0.311243D+01
      6   0.158865D+01 -0.403727D+00 -0.904914D+00  0.161670D+00  0.171249D+01
               186           187           188           189           190 
      1  -0.164454D+01 -0.473304D+01 -0.287618D+01 -0.341928D+01  0.104575D+01
      2   0.389417D+01  0.113960D+01  0.624756D+01  0.276365D+01 -0.389467D+01
      3  -0.224963D+01  0.359344D+01 -0.337138D+01  0.655622D+00  0.284892D+01
      4  -0.346393D+01  0.416375D+01 -0.796847D+01 -0.611177D+01  0.680864D+00
      5  -0.545616D+01  0.341430D+01 -0.616577D+01  0.714822D+00  0.604393D+01
      6   0.635389D+01 -0.192519D+01  0.724019D+01  0.160282D+01 -0.191187D+01
               191           192           193           194           195 
      1   0.123691D+01  0.707380D+01  0.479082D+01 -0.395452D+01  0.788293D+00
      2  -0.111540D+01 -0.353233D+01 -0.371239D+01  0.307579D+01 -0.245098D+01
      3  -0.121514D+00 -0.354147D+01 -0.107843D+01  0.878726D+00  0.166268D+01
      4   0.150454D+01 -0.209017D+01  0.136957D+01 -0.412751D+01  0.417540D+01
      5  -0.630616D+00  0.587607D+01  0.126088D+00  0.451211D+01  0.275066D+01
      6  -0.548117D+00  0.451689D+00  0.485940D+00 -0.159746D+01  0.411233D+01
               196           197           198           199           200 
      1   0.923416D+01  0.313423D+01 -0.182009D+02  0.155447D+01  0.260836D+01
      2  -0.712031D+01 -0.186143D+01 -0.135398D+02 -0.128728D+01 -0.158380D+01
      3  -0.211386D+01 -0.127280D+01  0.317408D+02 -0.267187D+00 -0.102456D+01
      4  -0.455427D+01  0.654500D+01 -0.592047D+01  0.228927D+01  0.164347D+01
      5   0.100564D+02 -0.589480D+01  0.439035D+02 -0.206278D+01 -0.556841D+00
      6  -0.265761D+01  0.773475D+01 -0.197577D+02 -0.226216D+01  0.960041D+00
               201           202           203           204           205 
      1  -0.361959D+01  0.650699D+00 -0.504327D+01  0.264501D+01 -0.416140D+01
      2   0.172759D+01  0.784874D+00  0.739192D+01 -0.451481D+01  0.132202D+01
      3   0.189200D+01 -0.143557D+01 -0.234865D+01  0.186980D+01  0.283937D+01
      4  -0.206586D+01  0.294622D+01  0.515442D+01 -0.369533D+01 -0.898601D+01
      5   0.706328D+00 -0.111786D+01 -0.332600D+01  0.459756D+01  0.629045D+01
      6  -0.194559D+01 -0.140605D+01 -0.580793D+01  0.757960D+01  0.519349D+01
               206           207           208           209           210 
      1   0.704001D+01 -0.105957D+02  0.661222D+00  0.738304D+01  0.104287D+01
      2  -0.831403D+01  0.190047D+01  0.101270D+01 -0.336527D+01 -0.477894D+00
      3   0.127403D+01  0.869527D+01 -0.167392D+01 -0.401776D+01 -0.564973D+00
      4  -0.113086D+02  0.985810D+01  0.715360D+01 -0.729703D+00 -0.270678D+00
      5   0.969306D+01 -0.237223D+02  0.909311D+00 -0.625820D+00  0.101110D+01
      6   0.143084D+02 -0.288319D+02 -0.126144D+00 -0.113816D+00  0.131185D+01
               211           212           213           214           215 
      1   0.232315D+02 -0.194980D+01 -0.183601D+01  0.184946D+01 -0.450314D+00
      2  -0.134883D+02  0.212799D+01  0.169808D+01 -0.962236D+00  0.446749D+00
      3  -0.974322D+01 -0.178191D+00  0.137932D+00 -0.887221D+00  0.356411D-02
      4  -0.104620D+01  0.346599D+02 -0.264514D+00 -0.511108D+00  0.133196D+01
      5  -0.231188D+01  0.213354D+00  0.749578D+01  0.406627D+01  0.272664D+01
      6   0.604188D+00 -0.108801D+01 -0.110378D+01  0.298788D+00  0.217484D+01
               216 
      1   0.101162D+01
      2  -0.205326D+01
      3   0.104164D+01
      4   0.219398D+01
      5  -0.204256D+01
      6  -0.197621D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x         -0.113523D+01     -0.288546D+01     -0.962485D+01
   y          0.398650D+00      0.101327D+01      0.337990D+01
   z          0.537424D+00      0.136600D+01      0.455647D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.105979D+03      0.157044D+02      0.174735D+02
   yx         0.114144D+01      0.169144D+00      0.188198D+00
   yy         0.945386D+02      0.140092D+02      0.155873D+02
   zx        -0.254045D+00     -0.376456D-01     -0.418864D-01
   zy        -0.148329D+01     -0.219801D+00     -0.244561D+00
   zz         0.780443D+02      0.115650D+02      0.128678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.999955D+02      0.148178D+02      0.164870D+02
   aniso      0.247071D+02      0.366122D+01      0.407366D+01
   xx         0.113225D+03      0.167782D+02      0.186683D+02
   yx         0.110397D+01      0.163591D+00      0.182020D+00
   yy         0.101624D+03      0.150591D+02      0.167555D+02
   zx        -0.317445D+00     -0.470405D-01     -0.523396D-01
   zy        -0.171585D+01     -0.254263D+00     -0.282906D+00
   zz         0.851374D+02      0.126161D+02      0.140373D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.46931091          2.02747399          1.58195940
     6         -1.10579135         -0.40903642          2.94755119
     6          1.40243364          1.49971992         -0.52409182
     6          0.38182666         -0.55958918         -2.27834944
     8         -0.14788523         -2.77139472         -0.82398702
     6         -2.00752676         -2.39563240          1.05196742
     8          0.64666279          3.85330801          3.20653699
     1         -2.20909908          2.79314114          0.75012765
     8         -2.99412884          0.14617922          4.76506721
     1          0.61021455         -1.13229358          3.86791735
     1          3.16961158          0.81670938          0.32022244
     8          1.87591637          3.71579653         -1.97213244
     6          2.25393390         -1.31475292         -4.33387510
     1         -1.35359492          0.12154548         -3.18874467
     8         -2.49853466         -4.70414972          2.23212530
     1         -3.80018472         -1.79511092          0.20201081
     1         -0.50218887          4.15209055          4.58974911
     1         -3.55491245         -1.42930919          5.49312600
     1          2.27338563          5.05958025         -0.80386280
     8          2.50367489          0.56289923         -6.21628078
     1          1.55472097         -3.01685517         -5.25979082
     1          4.07806013         -1.77192234         -3.45511516
     1         -0.89240978         -5.46431830          2.65743091
     1          2.80733791          2.15654477         -5.37469792

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.131776D+01      0.334940D+01      0.111724D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.843748D+02      0.125031D+02      0.139115D+02
   yx         0.472793D+01      0.700607D+00      0.779531D+00
   yy         0.946838D+02      0.140307D+02      0.156112D+02
   zx        -0.108329D+02     -0.160527D+01     -0.178610D+01
   zy        -0.116012D+01     -0.171912D+00     -0.191278D+00
   zz         0.995029D+02      0.147448D+02      0.164058D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.999955D+02      0.148178D+02      0.164870D+02
   aniso      0.247071D+02      0.366122D+01      0.407366D+01
   xx         0.913695D+02      0.135396D+02      0.150648D+02
   yx         0.454684D+01      0.673772D+00      0.749672D+00
   yy         0.101901D+03      0.151002D+02      0.168012D+02
   zx        -0.109385D+02     -0.162092D+01     -0.180351D+01
   zy        -0.124737D+01     -0.184841D+00     -0.205663D+00
   zz         0.106716D+03      0.158136D+02      0.175951D+02

 ----------------------------------------------------------------------
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 We find comfort among those who agree with us -- growth among those who don't.
 -- Frank A. Clark
 Job cpu time:       0 days  8 hours 37 minutes 13.9 seconds.
 Elapsed time:       0 days  1 hours  4 minutes 49.6 seconds.
 File lengths (MBytes):  RWF=    462 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:04:05 2021.
